SCHEMBL24745833

SCHEMBL24745833

CC(C)c1cc(Nc2ccc(N3CCN(C)CC3)cn2)c2c(=O)[nH]ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.47
CDK4 P11802 7/20 0.45
CCND1 P24385 7/20 0.45
CCND3 P30281 7/20 0.44
CDK6 Q00534 7/20 0.44
CDK2 P24941 6/20 0.44
CCNE1 P24864 4/20 0.44
CCNA2 P20248 3/20 0.44
CDK9 P50750 5/20 0.44
CCNT1 O60563 2/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNK O75909 3/20 0.43
FLT3 P36888 2/20 0.42
EGFR P00533 2/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42

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
SCHEMBL30316225 1.00 MAP4K1 (0.47) MAP4K1CDK4CCND1CCND3CDK6
SCHEMBL24746072 0.91 CDK4 (0.45) CDK4CCND1CCND3CDK6CDK2
SCHEMBL30316534 0.91 CDK4 (0.45) CDK4CCND1CCND3CDK6CDK2
SCHEMBL30316347 0.90 SYK (0.46) CDK4CCND1CCND3CDK6CDK2
SCHEMBL24746073 0.90 SYK (0.46) CDK4CCND1CCND3CDK6CDK2
SCHEMBL24747223 0.89 TYK2 (0.46) MAP4K1CDK4CCND1CCND3
SCHEMBL30316297 0.89 TYK2 (0.46) MAP4K1CDK4CCND1CCND3
SCHEMBL24746100 0.83 TYK2 (0.45) MAP4K1CDK4CCND1CDK6CDK2
SCHEMBL29892159 0.83 TYK2 (0.45) MAP4K1CDK4CCND1CDK6CDK2
SCHEMBL24746098 0.83 MAP4K1 (0.43) MAP4K1CDK4CCND1CCND3CDK6

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed