SCHEMBL11889271

SCHEMBL11889271

Cc1ccc2c(Nc3cncc(C(F)(F)F)c3)nccc2c1Nc1ncccc1-c1ccncn1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEK Q02763 16/20 0.82
KDR P35968 13/20 0.82
BRAF P15056 9/20 0.82
LCK P06239 8/20 0.82
MAPK14 Q16539 3/20 0.51
RAF1 P04049 1/20 0.42
DDR1 Q08345 1/20 0.40

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
SCHEMBL2264176 0.90 TEK (1.00) TEKKDRBRAFLCKMAPK14
SCHEMBL11889229 0.89 TEK (0.69) TEKKDRBRAFLCKMAPK14
SCHEMBL2261523 0.86 TEK (0.79) TEKKDRBRAFLCKMAPK14
SCHEMBL4792941 0.83 TEK (0.83) TEKKDRBRAFLCKMAPK14
SCHEMBL11889277 0.83 TEK (0.79) TEKKDRBRAFLCKMAPK14
SCHEMBL2515742 0.81 TEK (0.72) TEKKDRBRAFLCKMAPK14
SCHEMBL2517827 0.81 TEK (0.77) TEKKDRBRAFLCKMAPK14
SCHEMBL11889124 0.81 BRAF (1.00) TEKKDRBRAFLCKMAPK14
SCHEMBL2261239 0.80 TEK (0.76) TEKKDRBRAFLCKMAPK14
SCHEMBL2262420 0.79 TEK (0.73) TEKKDRBRAFLCKMAPK14

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-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP disclosed