SCHEMBL22650501

SCHEMBL22650501

COc1nc(-c2ccnc(Nc3ccc(N4CCNCC4=O)c(F)c3)n2)cc2c1ncn2C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.40
CDK1 P06493 2/20 0.40
CDK4 P11802 2/20 0.40
CCNB1 P14635 2/20 0.40
CCND1 P24385 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK9 P50750 8/20 0.38
BRD4 O60885 5/20 0.38
IKBKB O14920 3/20 0.38
CHUK O15111 2/20 0.38
ACVR1 Q04771 1/20 0.36
CCNT1 O60563 4/20 0.36
CCNA2 P20248 3/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
SYK P43405 3/20 0.34
PRKD3 O94806 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL22650502 0.89 CDK4 (0.43) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL22650549 0.88 ZAP70 (0.42) CDK2CDK1CCNB1CDK9IKBKB
SCHEMBL22650496 0.87 EGFR (0.38) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL22650464 0.77 CDK6 (0.44) CDK2CDK4CCND1CDK9CCNT1
SCHEMBL22650579 0.75 CDK4 (0.48) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL22650426 0.74 IKBKB (0.42) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL22650775 0.73 CDK4 (0.44) CDK2CDK1CDK4CDK9CCNA2
SCHEMBL22650515 0.72 SYK (0.35) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL22650503 0.68 MAPK14 (0.46) CDK2CDK1CCNB1CCNE1CDK9
SCHEMBL22650407 0.68 L3MBTL1 (0.37) CDK2CDK1CCNA2

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed