SCHEMBL27280232

SCHEMBL27280232

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
AR P10275 1/20 0.42
MAPKAPK2 P49137 7/20 0.41
RORC P51449 4/20 0.40
NAMPT P43490 1/20 0.38
SYK P43405 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP17A1 P05093 1/20 0.37
ATF1 P18846 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL30690793 1.00 MAP4K4 (0.43) MAP4K4ARMAPKAPK2RORCNAMPT
SCHEMBL23147917 0.86 AR (0.43) MAP4K4ARMAPKAPK2RORCNAMPT
SCHEMBL29813534 0.85 SYK (0.43) MAP4K4ARMAPKAPK2RORCNAMPT
SCHEMBL23147868 0.85 SYK (0.43) MAP4K4ARMAPKAPK2RORCNAMPT
SCHEMBL29813512 0.84 ATF1 (0.42) MAP4K4ARMAPKAPK2RORCNAMPT
SCHEMBL29813513 0.84 ATF1 (0.42) MAP4K4ARMAPKAPK2RORCNAMPT
SCHEMBL23147986 0.84 ATF1 (0.42) MAP4K4ARMAPKAPK2RORCNAMPT
SCHEMBL27280382 0.83 MAP4K4 (0.44) MAP4K4ARMAPKAPK2RORCNAMPT
SCHEMBL30690681 0.83 MAP4K4 (0.44) MAP4K4ARMAPKAPK2RORCNAMPT
SCHEMBL24551596 0.83 MAPKAPK2 (0.49) MAP4K4MAPKAPK2RORCNAMPTCYP17A1

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