SCHEMBL28660342

SCHEMBL28660342

O=C(Cl)c1ccnc(-n2cnc(C3CC3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.43
KDM4A O75164 2/20 0.43
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
MAP3K5 Q99683 11/20 0.38
PROKR1 Q8TCW9 2/20 0.37
PDE10A Q9Y233 2/20 0.35
PIK3CA P42336 1/20 0.35
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL28652012 0.88 KDM4C (0.55) KDM4CKDM4AKDM5AKDM5BPIK3CA
SCHEMBL28646401 0.84 KDM4C (0.46) KDM4CKDM4AKDM5AKDM5BMAP3K5
SCHEMBL28646403 0.79 MAP3K5 (0.51) MAP3K5
SCHEMBL20750911 0.79 MAP3K5 (0.41) MAP3K5
SCHEMBL28643374 0.77 MAP3K5 (0.52) MAP3K5
SCHEMBL28668610 0.76 MAP3K5 (0.53) MAP3K5
SCHEMBL28848700 0.76 MAP3K5 (0.35) MAP3K5PDE10A
SCHEMBL28648124 0.74 MAP3K5 (0.42) MAP3K5
SCHEMBL28658684 0.74 MAP3K5 (0.40) MAP3K5
SCHEMBL28643386 0.73 MAP3K5 (0.38) MAP3K5

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