SCHEMBL16471817

SCHEMBL16471817

CNC(=O)c1cc(-c2cccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c2)nc2c1CNN2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.48
KDR P35968 4/20 0.46
TEK Q02763 3/20 0.45
EPHB4 P54760 1/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
BRAF P15056 3/20 0.43
RAF1 P04049 1/20 0.42
NTRK1 P04629 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
LTK P29376 1/20 0.41
FLT3 P36888 1/20 0.41
CDK8 P49336 1/20 0.41
NTRK3 Q16288 1/20 0.41
MAPK14 Q16539 1/20 0.41
NTRK2 Q16620 1/20 0.41
AURKB Q96GD4 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL1323476 0.81 RIPK1 (0.54) RIPK1KDRTEKEPHB4CDK1
SCHEMBL4872168 0.73 RIPK1 (0.57) RIPK1KDRTEKEPHB4CDK1
SCHEMBL1322572 0.71 FLT3 (0.52) RIPK1KDRTEKNTRK1RET
SCHEMBL16456547 0.71 RIPK1 (0.54) RIPK1KDRTEKEPHB4CDK1
SCHEMBL14014078 0.69 GRIK1 (0.60) RIPK1KDRBRAFNTRK1RET
SCHEMBL1323384 0.68 TEK (0.46) RIPK1KDRTEKBRAFRAF1
SCHEMBL2264236 0.68 KDR (0.58) RIPK1KDRBRAFNTRK1
SCHEMBL5271094 0.67 KDR (0.69) RIPK1KDRTEKEPHB4NTRK1
SCHEMBL16008793 0.67 GRIK1 (0.58) RIPK1KDRBRAFNTRK1
SCHEMBL4515186 0.66 TRPV1 (0.66) RIPK1KDRTEKEPHB4BRAF

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
EP-1912988-B1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF AVENTIS PHARMA SA (FR) 2014-04-16 EP disclosed