SCHEMBL24670364

SCHEMBL24670364

CCn1c(=O)ccc2cnc(NC3CC3)nc21

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 15/20 0.88
CDK4 P11802 14/20 0.88
CCND2 P30279 14/20 0.88
CCND3 P30281 14/20 0.88
MAPK8 P45983 5/20 0.62
MAPK10 P53779 4/20 0.62
MAPK9 P45984 3/20 0.62
CCNE1 P24864 2/20 0.62
CDK2 P24941 2/20 0.62
CCNB2 O95067 1/20 0.62
CCNE2 O96020 1/20 0.62
CDK1 P06493 1/20 0.62
FGFR1 P11362 1/20 0.62
SRC P12931 1/20 0.62
CCNB1 P14635 1/20 0.62
CCNA2 P20248 1/20 0.62
FGFR2 P21802 1/20 0.62
FGFR4 P22455 1/20 0.62
FGFR3 P22607 1/20 0.62
CCNA1 P78396 1/20 0.62

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
SCHEMBL4359995 0.94 CCND1 (1.00) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL14932668 0.87 CDK4 (0.72) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL3304050 0.82 CCND1 (0.79) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL31053648 0.82 CDK4 (0.76) CCND1CDK4CCND2CCND3CCNE1
SCHEMBL3304038 0.81 MAPK8 (0.71) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL3304031 0.81 MAPK8 (0.71) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL7796726 0.81 MAPK8 (0.71) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL189662 0.81 CDK4 (1.00) CCND1CDK4CCND2CCND3CCNE1
SCHEMBL23141627 0.80 CDK4 (0.72) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL23141626 0.80 CDK4 (0.72) CCND1CDK4CCND2CCND3MAPK8

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-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed