SCHEMBL13504372

SCHEMBL13504372

CN(C)c1ccc(Nc2nc3cc(Oc4ccnc(N(C)C=O)c4)ccc3n2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.56
RAF1 P04049 11/20 0.56
KDR P35968 3/20 0.54
LCK P06239 2/20 0.46
FYN P06241 2/20 0.46
PDGFRB P09619 2/20 0.46
KIT P10721 2/20 0.46
SRC P12931 2/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
STK25 O00506 1/20 0.46
CIT O14578 1/20 0.46
EPHB6 O15197 1/20 0.46
MAP3K7 O43318 1/20 0.46
RIPK2 O43353 1/20 0.46
PAK3 O75914 1/20 0.46
STK10 O94804 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
CSF1R P07333 1/20 0.46

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
SCHEMBL2891679 0.91 BRAF (0.57) BRAFRAF1KDRLCKFYN
SCHEMBL2891678 0.91 BRAF (0.68) BRAFRAF1KDR
SCHEMBL2897957 0.91 BRAF (0.56) BRAFRAF1KDRLCKFYN
SCHEMBL2886099 0.91 RAF1 (0.56) BRAFRAF1KDRLCKFYN
SCHEMBL2892354 0.91 BRAF (0.56) BRAFRAF1KDRLCKFYN
SCHEMBL2897888 0.89 BRAF (0.52) BRAFRAF1KDRLCKFYN
SCHEMBL2889367 0.89 BRAF (0.65) BRAFRAF1KDRLCKFYN
SCHEMBL2890938 0.89 BRAF (0.65) BRAFRAF1KDRLCKFYN
SCHEMBL2891234 0.88 BRAF (0.54) BRAFRAF1KDRLCKFYN
SCHEMBL2891799 0.88 BRAF (0.58) BRAFRAF1KDRLCKFYN

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
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed