SCHEMBL28652012

SCHEMBL28652012

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 11/20 0.55
KDM4A O75164 3/20 0.55
KDM5A P29375 5/20 0.50
KDM5B Q9UGL1 4/20 0.50
PIK3CA P42336 1/20 0.47
KDM2B Q8NHM5 6/20 0.45

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
SCHEMBL28660342 0.88 KDM4C (0.43) KDM4CKDM4AKDM5AKDM5BPIK3CA
SCHEMBL28646401 0.85 KDM4C (0.46) KDM4CKDM4AKDM5AKDM5BPIK3CA
SCHEMBL27959304 0.78 MAP3K5 (0.52)
SCHEMBL28656973 0.77 TSHR (0.41) KDM4CKDM4AKDM2B
SCHEMBL15974402 0.77 KDM4C (0.58) KDM4CKDM4AKDM5AKDM5BPIK3CA
SCHEMBL28848700 0.77 MAP3K5 (0.35)
SCHEMBL28649418 0.76 MAP3K5 (0.53)
SCHEMBL20672223 0.76 MAP3K5 (0.42)
SCHEMBL30029659 0.76 MAP3K5 (0.42)
SCHEMBL30504055 0.76 KDM4C (0.53) KDM4CKDM4AKDM5AKDM5BPIK3CA

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