SCHEMBL27280382

SCHEMBL27280382

CC(C)(C)OC(=O)Nc1cnc(F)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
RORC P51449 4/20 0.43
MAPKAPK2 P49137 9/20 0.42
SYK P43405 1/20 0.42
NAMPT P43490 1/20 0.40
AR P10275 1/20 0.39
CYP17A1 P05093 1/20 0.39

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
SCHEMBL30690681 1.00 MAP4K4 (0.44) MAP4K4RORCMAPKAPK2SYKNAMPT
SCHEMBL24551596 0.85 MAPKAPK2 (0.49) MAP4K4RORCMAPKAPK2NAMPTCYP17A1
SCHEMBL29760070 0.84 MAPKAPK2 (0.46) MAP4K4RORCMAPKAPK2NAMPTCYP17A1
SCHEMBL24576927 0.84 MAPKAPK2 (0.46) MAP4K4RORCMAPKAPK2NAMPTCYP17A1
SCHEMBL30690793 0.83 MAP4K4 (0.43) MAP4K4RORCMAPKAPK2SYKNAMPT
SCHEMBL27280232 0.83 MAP4K4 (0.43) MAP4K4RORCMAPKAPK2SYKNAMPT
SCHEMBL27280375 0.79 RORC (0.43) MAP4K4RORCSYKNAMPTAR
SCHEMBL1548181 0.79 MAPKAPK2 (0.47) MAP4K4MAPKAPK2SYKNAMPTCYP17A1
SCHEMBL15081332 0.78 SYK (0.45) MAP4K4RORCMAPKAPK2SYKNAMPT
SCHEMBL29813612 0.78 SYK (0.45) MAP4K4RORCMAPKAPK2SYKNAMPT

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-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed