SCHEMBL30083579

SCHEMBL30083579

Fc1cc(-c2ccccn2)ccc1CNc1cc(Cl)nc2c(Cl)cnn12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.50
▸ GPR39 O43194 3/20 0.44
▸ KCNN3 Q9UGI6 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ KCNN1 Q92952 1/20 0.38
▸ KCNN2 Q9H2S1 1/20 0.38
▸ GSK3B P49841 3/20 0.37
▸ HSP90AA1 P07900 1/20 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
SCHEMBL30083375 0.91 GSK3B (0.48) CDK2GPR39KCNN3KDM4EMAPT
SCHEMBL30083469 0.87 GPR39 (0.41) CDK2GPR39KCNN3KDM4EMAPT
SCHEMBL30083470 0.85 CDK2 (0.54) CDK2GPR39KCNN3KDM4EMAPT
SCHEMBL24793003 0.82 CDK2 (0.50) CDK2GPR39
SCHEMBL24792975 0.78 CDK2 (0.54) CDK2GSK3B
SCHEMBL30872065 0.77 GSK3B (0.52) CDK2KCNN3KDM4EMAPTNPC1
SCHEMBL30083487 0.77 KCNN3 (0.37) CDK2GPR39KCNN3KDM4EMAPT
SCHEMBL30083556 0.77 GSK3B (0.58) CDK2GPR39KCNN3KDM4EMAPT
SCHEMBL30083376 0.75 CDK2 (0.53) CDK2KCNN3KDM4ENPC1RAB9A
SCHEMBL30872090 0.74 KCNN3 (0.38) CDK2KCNN3KDM4EMAPTNPC1

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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