SCHEMBL1031736

SCHEMBL1031736

NC(=O)c1ccnc(-c2ccc(C(F)(F)F)cc2C2CCN(Cc3ccc(-c4ncc(F)cn4)cc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.41
SSTR5 P35346 1/20 0.40
SYK P43405 1/20 0.38
PRKAA2 P54646 3/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PIK3CA P42336 1/20 0.37
BRAF P15056 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 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
SCHEMBL1034167 0.94 STAT3 (0.41) STAT3SSTR5SYKPRKAA2PARP1
SCHEMBL1035443 0.86 AKT1 (0.41) SSTR5PRKAA2ALOX5APFEN1AKT1
SCHEMBL1847418 0.81 PRKAA2 (0.44) SSTR5PRKAA2AKT1AKT2OPRM1
SCHEMBL1031737 0.79 HIF1A (0.51) STAT3SSTR5HIF1AEPAS1
SCHEMBL2680721 0.78 HIF1A (0.42) STAT3BRAFHIF1AEPAS1UBE2M
SCHEMBL1029774 0.78 CHEK2 (0.41) STAT3SSTR5OPRK1
SCHEMBL1034197 0.75 SCN9A (0.41) OPRK1
SCHEMBL1846809 0.73 PRKAA2 (0.42) PRKAA2OPRM1OPRK1
SCHEMBL1844021 0.73 WNK1 (0.43) OPRK1UBE2MDCUN1D1
SCHEMBL1034169 0.73 HIF1A (0.51) STAT3SSTR5AKT1HIF1AEPAS1

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-2011003684-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-01-13 WO disclosed