SCHEMBL13075294

SCHEMBL13075294

CBc1ccc2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.41
▸ LIMK1 P53667 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.32
▸ RIPK1 Q13546 2/20 0.31
▸ ACVRL1 P37023 1/20 0.30

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
SCHEMBL64667 0.76 MAP4K4 (0.44) MAP4K4TNIKRIPK1ACVRL1
SCHEMBL20820178 0.75 MAP4K4 (0.47) MAP4K4TNIKRIPK1ACVRL1
SCHEMBL15740086 0.73 MAP4K4 (0.46) MAP4K4TNIKRIPK1ACVRL1
SCHEMBL21137294 0.73 MAP4K4 (0.42) MAP4K4TNIKRIPK1ACVRL1
SCHEMBL13075167 0.72 MAP4K4 (0.44) MAP4K4TNIKRIPK1
SCHEMBL17238976 0.72 MAP4K4 (0.44) MAP4K4TNIKRIPK1
SCHEMBL57305 0.72 MAP4K4 (0.44) MAP4K4TNIKRIPK1
SCHEMBL21539427 0.71 MAP4K4 (0.41) MAP4K4TNIKRIPK1ACVRL1
SCHEMBL19402915 0.71 MAP4K4 (0.41) MAP4K4TNIKRIPK1ACVRL1
SCHEMBL12392887 0.71 RET (0.41) MAP4K4TNIKRIPK1ACVRL1

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
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 — — WO disclosed
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