SCHEMBL30083382

SCHEMBL30083382

Clc1cc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C3CC3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR39 O43194 1/20 0.48
▸ CDK2 P24941 11/20 0.46
▸ CCNA2 P20248 3/20 0.46
▸ CCNT1 O60563 2/20 0.46
▸ CDK9 P50750 2/20 0.46
▸ DYRK3 O43781 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ CLK3 P49761 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ KCNN1 Q92952 1/20 0.44
▸ KCNN2 Q9H2S1 1/20 0.44
▸ KCNN3 Q9UGI6 1/20 0.44
▸ GSK3B P49841 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL30083523 0.89 KCNN3 (0.44) GPR39CDK2KCNN1KCNN2KCNN3
SCHEMBL30083485 0.89 KDM4E (0.47) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL24792999 0.89 GPR39 (0.48) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL30872083 0.88 KCNN3 (0.49) CDK2CCNA2KCNN1KCNN2KCNN3
SCHEMBL30083401 0.88 GSK3B (0.45) CDK2CCNA2KCNN1KCNN2KCNN3
SCHEMBL30083534 0.87 GPR39 (0.51) GPR39CDK2CCNA2KCNN1KCNN2
SCHEMBL30083469 0.87 GPR39 (0.41) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL30083466 0.86 CDK2 (0.49) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL24791444 0.86 CDK2 (0.49) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL30083470 0.86 CDK2 (0.54) GPR39CDK2CCNA2CCNT1CDK9

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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