SCHEMBL30083466

SCHEMBL30083466

c1ccc(-c2ccc(CNc3cc(C4CNC4)nc4c(C5CC5)cnn34)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.49
▸ CHEK1 O14757 3/20 0.49
▸ CCNA2 P20248 3/20 0.49
▸ CCNA1 P78396 2/20 0.49
▸ GSK3B P49841 4/20 0.47
▸ GPR39 O43194 1/20 0.46
▸ CDK9 P50750 5/20 0.44
▸ CDK5 Q00535 3/20 0.44
▸ CCNT1 O60563 3/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ CLK3 P49761 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ DYRK2 Q92630 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44
▸ CDK7 P50613 5/20 0.43
▸ CCNE1 P24864 7/20 0.41

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
SCHEMBL24791444 1.00 CDK2 (0.49) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL24791650 0.92 GSK3B (0.56) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL24792972 0.91 CDK7 (0.46) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL24791488 0.87 GPR39 (0.43) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL24791659 0.87 CDK2 (0.45) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL24791684 0.87 CDK2 (0.45) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL24791683 0.87 CDK2 (0.45) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL24792971 0.87 CDK2 (0.47) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL24792977 0.87 GPR39 (0.42) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL24792999 0.86 GPR39 (0.48) CDK2CHEK1CCNA2CCNA1GSK3B

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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