SCHEMBL30083487

SCHEMBL30083487

Fc1cc(-c2ncccn2)ccc1CNc1cc(Cl)nc2c(C3CC3)cnn12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNN3 Q9UGI6 8/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CDK2 P24941 3/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ KCNN1 Q92952 2/20 0.34
▸ KCNN2 Q9H2S1 2/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ GPR39 O43194 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BTK Q06187 1/20 0.33

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 0.90 GPR39 (0.41) KCNN3KDM4EMAPTNPC1RAB9A
SCHEMBL30872090 0.89 KCNN3 (0.38) KCNN3KDM4EMAPTNPC1RAB9A
SCHEMBL30083440 0.86 CSNK2A2 (0.38) KCNN3KDM4EMAPTNPC1RAB9A
SCHEMBL30083523 0.86 KCNN3 (0.44) KCNN3KDM4EMAPTNPC1RAB9A
SCHEMBL24791511 0.83 CDK7 (0.50) CDK2GSK3BCDK7DPP4
SCHEMBL24793440 0.80 CDK7 (0.54) CDK2GSK3BCDK7
SCHEMBL30872099 0.79 KCNN3 (0.39) KCNN3KDM4EMAPTNPC1RAB9A
SCHEMBL30083382 0.78 GPR39 (0.48) KCNN3KDM4EMAPTNPC1RAB9A
SCHEMBL30083404 0.78 KCNN3 (0.47) KCNN3KDM4EMAPTNPC1RAB9A
SCHEMBL30872083 0.77 KCNN3 (0.49) KCNN3NPC1RAB9AKMT2ACDK2

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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