SCHEMBL28646403

SCHEMBL28646403

O=C(Cl)c1cccc(-n2cnc(C3CC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 19/20 0.51
MLLT3 P42568 1/20 0.40
MLLT1 Q03111 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
SCHEMBL27959304 0.88 MAP3K5 (0.52) MAP3K5
SCHEMBL28648093 0.88 MAP3K5 (0.52) MAP3K5MLLT3MLLT1
SCHEMBL28643803 0.84 MAP3K5 (0.53) MAP3K5MLLT3MLLT1
SCHEMBL27959287 0.83 KMO (0.49) MAP3K5MLLT3MLLT1
SCHEMBL27959298 0.82 KMO (0.51) MAP3K5MLLT3MLLT1
SCHEMBL28643386 0.81 MAP3K5 (0.38) MAP3K5
SCHEMBL28643807 0.81 MAP3K5 (0.41) MAP3K5
SCHEMBL20750911 0.79 MAP3K5 (0.41) MAP3K5
SCHEMBL28660342 0.79 KDM4C (0.43) MAP3K5
SCHEMBL28668610 0.79 MAP3K5 (0.53) 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