SCHEMBL6587124

SCHEMBL6587124

NC(=O)Oc1cccc2[nH]c(-c3cnn(-c4ccccc4Cl)c3C(F)(F)F)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.43
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MALT1 Q9UDY8 5/20 0.35
FLT3 P36888 1/20 0.35
PDE9A O76083 2/20 0.35
PDE1C Q14123 1/20 0.35
MAPK14 Q16539 1/20 0.33

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
SCHEMBL6587656 0.91 PARP1 (0.38) PARP1MALT1FLT3
SCHEMBL6802778 0.86 PARP1 (0.61) PARP1
SCHEMBL6587344 0.81 PARP1 (0.43) PARP1GAAMGAMSIMGAM2
SCHEMBL6807418 0.77 PARP1 (0.53) PARP1
SCHEMBL6587569 0.77 PARP1 (0.39) PARP1GAAMGAMSIMGAM2
SCHEMBL6802788 0.75 PARP1 (0.41) PARP1FGFR1SRCFGFR2FGFR4
SCHEMBL6587520 0.74 PARP1 (0.46) PARP1GAAMGAMSIMGAM2
SCHEMBL6585205 0.74 PARP1 (0.42) PARP1GAAMGAMSIMGAM2
SCHEMBL6589144 0.73 PARP1 (0.42) PARP1FGFR1FGFR2FGFR3GAA
SCHEMBL6587920 0.69 PARP1 (0.46) PARP1GAAMGAMSIMGAM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed