SCHEMBL3845800

SCHEMBL3845800

C[C@@H]1CO[C@@H](CN(C)C)CN1C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(F)cc2)n3C)ccn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.53
RAF1 P04049 16/20 0.53
KDR P35968 2/20 0.46
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44

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
SCHEMBL13290610 1.00 BRAF (0.53) BRAFRAF1KDRLCKFYN
SCHEMBL2891667 1.00 BRAF (0.53) BRAFRAF1KDRLCKFYN
SCHEMBL3838807 1.00 BRAF (0.53) BRAFRAF1KDRLCKFYN
SCHEMBL2890182 1.00 BRAF (0.53) BRAFRAF1KDRLCKFYN
SCHEMBL13290600 1.00 BRAF (0.53) BRAFRAF1KDRLCKFYN
SCHEMBL13559486 1.00 BRAF (0.53) BRAFRAF1KDRLCKFYN
SCHEMBL2892976 0.93 BRAF (0.53) BRAFRAF1KDR
SCHEMBL3021405 0.93 BRAF (0.53) BRAFRAF1KDR
SCHEMBL3009345 0.93 BRAF (0.53) BRAFRAF1KDR
SCHEMBL3009342 0.93 BRAF (0.53) BRAFRAF1KDR

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-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP disclosed