SCHEMBL28658684

SCHEMBL28658684

CSc1ccc(C(=O)Cl)cc1-n1cnc(C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 19/20 0.40
ABL1 P00519 1/20 0.39

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
SCHEMBL28648138 0.89 MAP3K5 (0.41) MAP3K5ABL1
SCHEMBL28643374 0.84 MAP3K5 (0.52) MAP3K5
SCHEMBL20750911 0.84 MAP3K5 (0.41) MAP3K5ABL1
SCHEMBL28648124 0.81 MAP3K5 (0.42) MAP3K5ABL1
SCHEMBL28848833 0.77 MAP3K5 (0.36) MAP3K5
SCHEMBL28646403 0.74 MAP3K5 (0.51) MAP3K5
SCHEMBL28656973 0.74 TSHR (0.41) MAP3K5ABL1
SCHEMBL28660342 0.74 KDM4C (0.43) MAP3K5
SCHEMBL28649418 0.73 MAP3K5 (0.53) MAP3K5
SCHEMBL28658681 0.73 TLR2 (0.44) MAP3K5ABL1

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
CN-109400625-B Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2021-11-12 CN disclosed