SCHEMBL30433737

SCHEMBL30433737

COC(=O)c1cc(-n2cnc(C3CC3)c2)c(C(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.53
AKT1 P31749 4/20 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
SCHEMBL20557223 1.00 MAP3K5 (0.53) MAP3K5AKT1
SCHEMBL28848812 0.86 MAP3K5 (0.51) MAP3K5AKT1
SCHEMBL20557566 0.86 MAP3K5 (0.52) MAP3K5AKT1
SCHEMBL30433403 0.86 MAP3K5 (0.52) MAP3K5AKT1
SCHEMBL29949315 0.84 MAP3K5 (0.43) MAP3K5AKT1
SCHEMBL28648080 0.84 MAP3K5 (0.43) MAP3K5AKT1
SCHEMBL29949150 0.81 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL28848841 0.81 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL21461103 0.74 MAP3K5 (0.52) MAP3K5
SCHEMBL28658716 0.74 MAP3K5 (0.41) MAP3K5AKT1

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-110869017-B Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof 英安塔制药有限公司 2023-05-05 CN disclosed