SCHEMBL2945922

SCHEMBL2945922

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nccc(-c2ccc(Nc3ccncc3)nc2)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.59
ABL1 P00519 11/20 0.59
PDGFRA P16234 7/20 0.59
BCR P11274 6/20 0.59
PDGFRB P09619 4/20 0.59
EGFR P00533 1/20 0.59
PRKCA P17252 1/20 0.59
KDR P35968 3/20 0.57
KIT P10721 3/20 0.57
TEK Q02763 1/20 0.57
CSF1R P07333 1/20 0.56
PIKFYVE Q9Y2I7 1/20 0.54

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
SCHEMBL2940451 0.91 ABL1 (0.59) BRAFABL1PDGFRABCRPDGFRB
SCHEMBL2942477 0.90 BRAF (0.61) BRAFABL1PDGFRABCRPDGFRB
SCHEMBL2945905 0.89 BTK (0.58) BRAFABL1PDGFRABCRPDGFRB
SCHEMBL2941616 0.87 KIT (0.61) BRAFABL1PDGFRABCRPDGFRB
SCHEMBL2941258 0.87 ABL1 (0.55) BRAFABL1PDGFRABCRPDGFRB
SCHEMBL1408815 0.87 ABL1 (0.77) BRAFABL1PDGFRABCRPDGFRB
SCHEMBL30899721 0.87 ABL1 (0.67) BRAFABL1PDGFRABCRPDGFRB
SCHEMBL2941693 0.87 ABL1 (0.67) BRAFABL1PDGFRABCRPDGFRB
SCHEMBL2940107 0.87 KDR (0.57) BRAFABL1PDGFRABCRPDGFRB
SCHEMBL2945359 0.86 ABL1 (0.70) BRAFABL1PDGFRABCRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635835-B1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2010-01-06 EP claimed
EP-1635835-B1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2010-01-06 EP disclosed
EP-1635835-B1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2010-01-06 EP disclosed