SCHEMBL1034167

SCHEMBL1034167

NC(=O)c1ccnc(-c2ccc(C(F)(F)F)cc2C2CCN(Cc3ccc(-c4ncc(Cl)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
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
F10 P00742 2/20 0.38
SYK P43405 1/20 0.38
CCR2 P41597 2/20 0.38
CHEK2 O96017 2/20 0.37
PIK3CA P42336 1/20 0.37
PRKAA2 P54646 1/20 0.37
BRAF P15056 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
GRM2 Q14416 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
SCHEMBL1031736 0.94 STAT3 (0.41) STAT3SSTR5PARP1PARP2SYK
SCHEMBL1035443 0.90 AKT1 (0.41) SSTR5F10CHEK2PRKAA2AKT1
SCHEMBL1034169 0.79 HIF1A (0.51) STAT3SSTR5F10AKT1HIF1A
SCHEMBL2681885 0.79 F10 (0.44) STAT3F10CCR2BRAFHIF1A
Hydrochloric Acid SCHEMBL2681741 0.78 F10 (0.43) STAT3F10CCR2BRAFHIF1A
SCHEMBL1847418 0.77 PRKAA2 (0.44) SSTR5PRKAA2AKT1AKT2GRM2
Acetic Acid SCHEMBL2680690 0.76 F10 (0.42) SSTR5F10BRAFHIF1AEPAS1
SCHEMBL1844021 0.76 WNK1 (0.43) CCR2CHEK2UBE2MDCUN1D1
SCHEMBL2680691 0.75 SSTR5 (0.36) STAT3SSTR5CCR2PIK3CAPRKAA2
SCHEMBL1034197 0.75 SCN9A (0.41)

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