SCHEMBL30083440

SCHEMBL30083440

Fc1cc(-c2nccs2)ccc1CNc1cc(Cl)nc2c(C3CC3)cnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.38
▸ KCNN3 Q9UGI6 4/20 0.36
▸ KCNN1 Q92952 1/20 0.36
▸ KCNN2 Q9H2S1 1/20 0.36
▸ CDK2 P24941 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ CDK7 P50613 1/20 0.31
▸ PLK4 O00444 2/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CCNK O75909 1/20 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
SCHEMBL30083621 0.88 KCNN3 (0.41) CSNK2A2KCNN3KCNN1KCNN2CDK2
SCHEMBL30083487 0.86 KCNN3 (0.37) KCNN3KCNN1KCNN2CDK2KDM4E
SCHEMBL24792474 0.84 CDK7 (0.46) CSNK2A2CDK2GSK3BDPP4CDK7
SCHEMBL30872090 0.84 KCNN3 (0.38) KCNN3KCNN1KCNN2CDK2KDM4E
SCHEMBL30083469 0.84 GPR39 (0.41) CSNK2A2KCNN3KCNN1KCNN2CDK2
SCHEMBL24792976 0.81 CDK7 (0.49) CSNK2A2CDK2GSK3BCDK7CCNT1
SCHEMBL30872099 0.75 KCNN3 (0.39) KCNN3KCNN1KCNN2CDK2KDM4E
SCHEMBL30083523 0.74 KCNN3 (0.44) KCNN3KCNN1KCNN2CDK2KDM4E
SCHEMBL30083507 0.73 GPR39 (0.41) KCNN3KCNN1KCNN2CDK2GSK3B
SCHEMBL24792726 0.72 CDK2 (0.42) CSNK2A2CDK2GSK3BCDK7CCNT1

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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