SCHEMBL18036

SCHEMBL18036

[c]1ccc2cnccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
CYP19A1 P11511 2/20 0.34
PRKCZ Q05513 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
IMPDH2 P12268 5/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
HASPIN Q8TF76 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18990 0.91 PRKCZ (0.37) KDM4EMAPKAPK2CYP19A1PRKCZMAPT
SCHEMBL17511930 0.85 CLK1 (0.43) KDM4EMAPKAPK2CYP19A1PRKCZMAPT
SCHEMBL7467738 0.85 CLK1 (0.43) KDM4EMAPKAPK2CYP19A1PRKCZMAPT
SCHEMBL152013 0.77 CYP19A1 (0.45) KDM4EMAPKAPK2CYP19A1PRKCZMAPT
SCHEMBL129202 0.77
SCHEMBL17511987 0.77 KDM4E (0.46) KDM4EMAPKAPK2PRKCZHTTLMNA
SCHEMBL17511872 0.77 CLK1 (0.41) KDM4EHTTIMPDH2CLK1DYRK1A
SCHEMBL17511886 0.75 IMPDH2 (0.46) KDM4EMAPKAPK2PRKCZHTTLMNA
SCHEMBL17511909 0.75 HIPK2 (0.41) KDM4EMAPKAPK2HTTIMPDH2CLK1
Bromide SCHEMBL30097072 0.74 CYP19A1 (0.43) KDM4EMAPKAPK2CYP19A1PRKCZMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 7579 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024120442-A1 PAK4 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CONVERGEN (SUZHOU) PHARMACEUTICAL CO., LTD. (CN) 2024-06-13 WO claimed
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 US claimed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 CN claimed
WO-2024046370-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITORS, AND PREPARATION AND THERAPEUTIC USE THEREOF 上海科州药物研发有限公司 2024-03-07 WO claimed
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US claimed
US-20230365620-A1 CYCLIN-DEPENDENT KINASE INHIBITORS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-16 US claimed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP claimed
CN-116554104-A Indenone and indazolone derivatives with antioxidant activity, and synthetic method and application thereof 西南大学 2023-08-08 CN claimed
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN claimed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP claimed
EP-0289430-B1 SWEETENERS DERIVED FROM GUANIDINOACETIC AND ETHANAMIDINOACETIC ACIDS, THEIR USES AND COMPOSITIONS CONTAINING THESE SWEETENERS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1992-04-08 EP claimed
EP-0226755-B1 5-HETEROCYCLIC-3H-1,2,4-TRIAZOLE-3-THIONES AND THEIR USE AS ANTIDEPRESSANTS MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-14 EP claimed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP claimed
US-4985438-A PSYCHOTROPIC ACTIVITY, ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1991-01-15 US claimed
CN-1046903-A Process for preparing heterocyclic ether derivatives ICI PLC (GB) 1990-11-14 CN claimed
EP-0385663-A2 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
US-4952593-A 5-heterocyclic-2,4-dialkyl-3H-1,2,4-triazole-3-thiones and their use as antidepressants MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-28 US claimed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP claimed