SCHEMBL4284971

SCHEMBL4284971

CNc1ncc2c(c1C)NC(=O)N(c1ccc(F)c(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.42
BRAF P15056 7/20 0.42
TRPV1 Q8NER1 3/20 0.41
RAF1 P04049 3/20 0.41
MAPK3 P27361 2/20 0.41
RIPK2 O43353 1/20 0.41
ABCB11 O95342 1/20 0.41
ABL1 P00519 1/20 0.41
NR3C1 P04150 1/20 0.41
RET P07949 1/20 0.41
HTR1A P08908 1/20 0.41
PDGFRB P09619 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
KIT P10721 1/20 0.41
CHRM1 P11229 1/20 0.41
BCR P11274 1/20 0.41
FGFR1 P11362 1/20 0.41
RARG P13631 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 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
SCHEMBL1521638 0.81 BRAF (0.47) KDRBRAFTRPV1RAF1MAPK3
SCHEMBL1521752 0.79 CDK8 (0.49) KDRBRAFTRPV1RAF1ABL1
SCHEMBL1521974 0.77 CDK8 (0.47) KDRBRAFTRPV1RAF1MAPK3
SCHEMBL1521409 0.75 FGFR4 (0.47) KDRBRAFTRPV1ABL1RET
SCHEMBL1521627 0.73 KDR (0.40) KDRBRAFTRPV1RAF1RIPK2
SCHEMBL4277338 0.72 BRAF (0.47) KDRBRAFRAF1RETFLT3
SCHEMBL4562970 0.71 BRAF (0.42) KDRBRAFRAF1RETFLT3
SCHEMBL4279196 0.71 TRPV1 (0.39) TRPV1KITPDGFRAMAPK11MAPK14
SCHEMBL4563507 0.71 KRAS (0.30) KDRBRAFRAF1
SCHEMBL4563487 0.70 PARP1 (0.40) EPHX2

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-2063896-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
WO-2008033999-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-20 WO disclosed