SCHEMBL12694359

SCHEMBL12694359

COCCOc1cc2ncnc(Nc3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)c2cc1OCCOC

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.72
EGFR P00533 10/20 0.72
KDR P35968 4/20 0.72
RAF1 P04049 5/20 0.65
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
KIT P10721 1/20 0.59

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
SCHEMBL12694355 0.87 KDR (0.71) BRAFEGFRKDR
SCHEMBL12694351 0.84 EGFR (0.67) BRAFEGFRKDRRAF1KIT
SCHEMBL12694386 0.84 EGFR (1.00) BRAFEGFRKDRRAF1KIT
SCHEMBL30664588 0.79 RAF1 (1.00) BRAFEGFRKDRRAF1
SCHEMBL21750863 0.79 RAF1 (1.00) BRAFEGFRKDRRAF1
SCHEMBL12694305 0.79 KDR (1.00) BRAFEGFRKDRKIT
SCHEMBL3947811 0.76 KDR (0.59) BRAFEGFRKDRRAF1CA2
SCHEMBL3948976 0.76 BRAF (0.60) BRAFEGFRKDRRAF1CA2
SCHEMBL3944523 0.76 BRAF (0.60) BRAFEGFRKDRRAF1CA2
SCHEMBL1015580 0.76 BRAF (0.88) BRAFRAF1

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
WO-2012089137-A1 ARYLUREA COMPOUND, INTERMEDIATE AND USE THEREOF 上海医药工业研究院 (CN) 2012-07-05 WO disclosed