SCHEMBL8307530

SCHEMBL8307530

CNC(=O)c1ccc2c(Cl)c[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
F10 P00742 17/20 0.51
HAT1 O14929 2/20 0.47
EP300 Q09472 2/20 0.47
PLAT P00750 1/20 0.47
KLKB1 P03952 1/20 0.47

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
SCHEMBL31396280 0.84 F10 (0.57) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL21824244 0.83 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL2804991 0.81 NPC1 (0.62) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL30166600 0.81 HDAC8 (0.44) PDE4APDE4BPDE4CPDE4DHAT1
SCHEMBL30166619 0.80 SPR (0.59) F10PLATKLKB1
SCHEMBL2001808 0.80 SPR (0.59) F10PLATKLKB1
SCHEMBL4693749 0.80 F10 (0.46) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL8289917 0.79 MEN1 (0.48) PDE4APDE4BPDE4CPDE4DF10
Hydrochloric Acid SCHEMBL30166603 0.79 F10 (0.55) F10PLATKLKB1
SCHEMBL4403020 0.78 F10 (0.46) PDE4APDE4BPDE4CPDE4DF10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650985-B Heterocyclic compounds as RET kinase inhibitors 癌症研究科技有限公司 2024-08-02 CN disclosed
CN-115650985-A Heterocyclic compounds as RET kinase inhibitors 癌症研究科技有限公司 2023-01-31 CN disclosed
CN-109195972-B Heterocyclic compounds as RET kinase inhibitors 癌症研究科技有限公司 2022-10-28 CN disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed