SCHEMBL22650524

SCHEMBL22650524

CC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCNCC5=O)cc4F)n3)cc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 7/20 0.38
CDK4 P11802 7/20 0.38
CCND1 P24385 4/20 0.38
CDK1 P06493 4/20 0.38
CCNB1 P14635 3/20 0.38
CCND3 P30281 2/20 0.36
CCNA2 P20248 3/20 0.36
EGFR P00533 1/20 0.36
F10 P00742 1/20 0.35
CSF1R P07333 1/20 0.35
IKBKB O14920 2/20 0.34
MAP4K1 Q92918 1/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
MAPK3 P27361 4/20 0.34
MAPK1 P28482 4/20 0.34
CHUK O15111 1/20 0.34
MYLK4 Q86YV6 1/20 0.33
STK17A Q9UEE5 1/20 0.33

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
SCHEMBL22650937 0.92 CDK4 (0.40) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL22650432 0.90 CDK6 (0.35) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL22650526 0.89 MAP4K1 (0.44) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL22650522 0.88 F10 (0.37) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL29491175 0.87 CDK4 (0.49) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL22650568 0.87 CDK4 (0.49) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL22650426 0.87 IKBKB (0.42) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL22650922 0.87 F10 (0.38) EGFRF10
SCHEMBL22650939 0.87 CAMK2D (0.44) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL22650715 0.85 CDK6 (0.35) CDK6CDK4CCND1CDK1CCNB1

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