SCHEMBL18715420

SCHEMBL18715420

C[C@H](Cn1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N(C)C)cn2)cs1)C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.80
AKT1 P31749 8/20 0.64

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
SCHEMBL18715459 0.90 MAP3K5 (0.81) MAP3K5AKT1
SCHEMBL18715426 0.89 MAP3K5 (0.81) MAP3K5AKT1
SCHEMBL15811891 0.89 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL15811890 0.89 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL18715415 0.88 MAP3K5 (0.81) MAP3K5AKT1
SCHEMBL20902658 0.88 MAP3K5 (0.80) MAP3K5AKT1
SCHEMBL18715395 0.87 MAP3K5 (0.81) MAP3K5AKT1
SCHEMBL15835598 0.87 MAP3K5 (0.91) MAP3K5AKT1
SCHEMBL18715550 0.87 MAP3K5 (0.81) MAP3K5AKT1
SCHEMBL20902690 0.86 MAP3K5 (0.82) 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
EP-3150597-A1 SUBSTITUTED PYRIDINE-2-CARBOXAMIDE COMPOUNDS AS APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2017-04-05 EP disclosed