SCHEMBL21067605

SCHEMBL21067605

CC(C)Nc1cc(Cl)nc2c(C#N)cnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 1.00
▸ PDE2A O00408 1/20 0.42
▸ AHR P35869 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CSNK2A1 P68400 5/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BCL6 P41182 1/20 0.38
▸ CSNK2A2 P19784 4/20 0.37

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
SCHEMBL15288758 0.78 CDK2 (0.64) CDK2CSNK2A1BCL6CSNK2A2
SCHEMBL15288383 0.76 CDK2 (0.61) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22413306 0.74 CDK2 (0.59) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23752480 0.74 CDK2 (1.00) CDK2CSNK2A1CSNK2A2
SCHEMBL19742583 0.73 CSNK2A1 (0.59) CDK2CSNK2A1BCL6CSNK2A2
SCHEMBL19742549 0.73 CDK2 (0.57) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30279917 0.73 CDK2 (0.57) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22413248 0.72 KCNN3 (0.61) CDK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22413337 0.71 KCNN3 (0.60) CDK2PDE2ACSNK2A1CSNK2A2
SCHEMBL30524307 0.70 CDK2 (0.54) CDK2CSNK2A1BCL6CSNK2A2

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

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 — — US disclosed
EP-4256086-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-10-11 — — EP disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 — — US disclosed
WO-2022119842-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER (US) 2022-06-09 — — WO disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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