SCHEMBL24791639

SCHEMBL24791639

c1ccc(-c2ccc(CNc3cc(N4CCOCC4)nc4c(C5CC5)cnn34)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ GPR39 O43194 1/20 0.43
▸ DYRK3 O43781 1/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ DPP4 P27487 1/20 0.40
▸ PIK3CB P42338 7/20 0.40
▸ PIK3CA P42336 4/20 0.40

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
SCHEMBL30083417 0.92 GPR39 (0.45) CDK2CDK5CCNE1GPR39DYRK3
SCHEMBL30083612 0.92 GPR39 (0.45) CDK2CDK5CCNE1GPR39DYRK3
SCHEMBL24792404 0.90 CDK2 (0.44) CDK2CDK5CCNE1GPR39DYRK3
SCHEMBL24791494 0.90 GPR39 (0.43) CDK2CDK5CCNE1GPR39DYRK3
SCHEMBL24792406 0.87 CDK2 (0.48) CDK2CDK5CCNE1GPR39DYRK3
SCHEMBL24791491 0.87 GPR39 (0.44) CDK2CDK5CCNE1GPR39DYRK3
SCHEMBL24793007 0.86 GPR39 (0.43) CDK2CDK5CCNE1GPR39DYRK3
SCHEMBL24792999 0.85 GPR39 (0.48) CDK2CDK5CCNE1GPR39DYRK3
SCHEMBL24792862 0.85 CDK2 (0.42) CDK2CDK5CCNE1GPR39DYRK3
SCHEMBL24792973 0.84 GPR39 (0.40) CDK2CDK5CCNE1GPR39DYRK3

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 2 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
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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