SCHEMBL24747211

SCHEMBL24747211

CCC(CC)c1cc(Nc2ccc(N3CCC(O)CC3)cn2)c2c(=O)[nH]ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.44
CCND1 P24385 1/20 0.44
TYK2 P29597 1/20 0.44
MAPK7 Q13164 1/20 0.41
TTK P33981 1/20 0.41
MAP4K1 Q92918 14/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL30316576 1.00 CDK4 (0.44) CDK4CCND1TYK2MAPK7TTK
SCHEMBL24747223 0.91 TYK2 (0.46) CDK4CCND1TYK2TTKMAP4K1
SCHEMBL30316297 0.91 TYK2 (0.46) CDK4CCND1TYK2TTKMAP4K1
SCHEMBL29892159 0.90 TYK2 (0.45) CDK4CCND1TYK2TTKMAP4K1
SCHEMBL24746100 0.90 TYK2 (0.45) CDK4CCND1TYK2TTKMAP4K1
SCHEMBL24747219 0.85 TYK2 (0.44) CDK4CCND1TYK2MAPK7TTK
SCHEMBL30316229 0.85 TYK2 (0.44) CDK4CCND1TYK2MAPK7TTK
SCHEMBL24745826 0.84 TYK2 (0.47) CDK4CCND1TYK2MAP4K1LRRK2
SCHEMBL29891142 0.84 TYK2 (0.47) CDK4CCND1TYK2MAP4K1LRRK2
SCHEMBL24745891 0.83 TYK2 (0.46) CDK4CCND1TYK2MAPK7TTK

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