SCHEMBL30083404

SCHEMBL30083404

COc1cc(-c2ccccn2)ccc1CNc1cc(Cl)nc2c(C3CC3)cnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN3 Q9UGI6 4/20 0.47
▸ KDM4E B2RXH2 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GPR39 O43194 1/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL30083469 0.87 GPR39 (0.41) KCNN3KDM4EMAPTKMT2ANPC1
SCHEMBL24791481 0.85 CCNE1 (0.50) GPR39CSNK2A2CDK2CDK9CDK5
SCHEMBL30083382 0.84 GPR39 (0.48) KCNN3KDM4EMAPTKMT2ANPC1
SCHEMBL30083512 0.84 GPR39 (0.47) KCNN3KDM4EMAPTKMT2ANPC1
SCHEMBL30083485 0.83 KDM4E (0.47) KCNN3KDM4EMAPTKMT2ANPC1
SCHEMBL24792800 0.81 CDK7 (0.53) CSNK2A2CCNA2CDK2CDK9CDK5
SCHEMBL30083481 0.80 KCNN3 (0.44) KCNN3KDM4EMAPTKMT2ANPC1
SCHEMBL30083527 0.78 GPR39 (0.40) KCNN3KDM4EMAPTKMT2ANPC1
SCHEMBL30083487 0.78 KCNN3 (0.37) KCNN3KDM4EMAPTKMT2ANPC1
SCHEMBL30083523 0.76 KCNN3 (0.44) KCNN3KDM4EMAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940427-A Substituted pyrazolo [1,5-a ] pyrimidine-7-amine compounds as CDK inhibitors and therapeutic uses thereof 卡里克治疗有限公司 2024-04-26 — — CN disclosed
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 — — EP disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 — — WO disclosed
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