SCHEMBL16760576

SCHEMBL16760576

COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCC(CN(C)C)C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 20/20 0.73
▸ KIF5B P33176 10/20 0.73
▸ KDR P35968 1/20 0.65

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
SCHEMBL16760392 0.96 RET (0.72) RETKIF5BKDR
SCHEMBL16760377 0.89 RET (0.73) RETKIF5BKDR
SCHEMBL16760526 0.88 RET (0.77) RETKIF5BKDR
SCHEMBL16760475 0.87 RET (0.73) RETKIF5BKDR
SCHEMBL16760595 0.86 RET (0.76) RETKIF5BKDR
SCHEMBL16760527 0.85 RET (0.83) RETKIF5BKDR
SCHEMBL16760603 0.85 RET (0.82) RETKIF5BKDR
SCHEMBL16760521 0.85 RET (1.00) RETKIF5BKDR
SCHEMBL16760596 0.84 RET (0.78) RETKIF5BKDR
SCHEMBL16760400 0.84 RET (1.00) RETKIF5BKDR

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-2015079251-A1 QUINAZOLINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-06-04 — — WO disclosed
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