SCHEMBL1925498

SCHEMBL1925498

NC(=O)c1[nH]cc(C(=O)O)c1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.49
GRIK1 P39086 3/20 0.49
TEK Q02763 2/20 0.47
FLT1 P17948 1/20 0.47
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CHRNA7 P36544 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
NTRK1 P04629 1/20 0.44
KDR P35968 5/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL1924035 0.90 CA12 (0.53) RIPK1GRIK1TEKFLT1CA12
SCHEMBL1924738 0.88 EPHX2 (0.51) GRIK1MAPTCA12CA1CA2
SCHEMBL1925204 0.87 RIPK1 (0.45) RIPK1TEKFLT1TP53GAA
SCHEMBL1926566 0.85 KDR (0.56) RIPK1TEKFLT1CA1CA2
SCHEMBL1925429 0.85 RIPK1 (0.46) RIPK1GRIK1TEKFLT1TP53
SCHEMBL1923760 0.84 MEN1 (0.56) GRIK1FLT1MAPTMEN1KMT2A
SCHEMBL1924916 0.83 RIPK1 (0.47) RIPK1GRIK1MAPTCA12CA1
SCHEMBL1923690 0.83 CA12 (0.55) RIPK1TEKFLT1CA12CA1
SCHEMBL1923906 0.83 CA12 (0.54) RIPK1TEKFLT1CA12CA1
SCHEMBL1923687 0.81 CA12 (0.57) RIPK1TEKFLT1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856043-B1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2011-06-08 EP claimed
EP-1856043-A1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2007-11-21 EP claimed
WO-2006082309-A1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2006-08-10 WO claimed
EP-1856043-B1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2011-06-08 EP disclosed