SCHEMBL24792999

SCHEMBL24792999

Oc1cc(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 13/20 0.46
▸ CCNA2 P20248 4/20 0.46
▸ CCNT1 O60563 4/20 0.46
▸ CDK9 P50750 4/20 0.46
▸ CDK5 Q00535 2/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ CDK5R1 Q15078 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
▸ DYRK2 Q92630 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ GSK3B P49841 5/20 0.43
▸ CCNE1 P24864 8/20 0.41
▸ CCNA1 P78396 3/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.39

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
SCHEMBL30083382 0.89 GPR39 (0.48) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL24791491 0.88 GPR39 (0.44) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL30083417 0.87 GPR39 (0.45) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL24791494 0.87 GPR39 (0.43) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL30083612 0.87 GPR39 (0.45) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL24791444 0.86 CDK2 (0.49) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL30083466 0.86 CDK2 (0.49) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL24792406 0.86 CDK2 (0.48) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL24791650 0.85 GSK3B (0.56) GPR39CDK2CCNA2CCNT1CDK9
SCHEMBL24791639 0.85 CDK2 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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