SCHEMBL16760592

SCHEMBL16760592

CCCC(CCC)(Oc1cc2ncnc(Nc3c(F)ccc(O)c3C)c2cc1OC)C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 20/20 0.72
▸ KIF5B P33176 9/20 0.72
▸ KDR P35968 2/20 0.72

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
SCHEMBL16760558 0.88 RET (0.77) RETKIF5BKDR
SCHEMBL16760537 0.87 RET (0.69) RETKIF5BKDR
SCHEMBL16760413 0.86 RET (0.70) RETKIF5BKDR
SCHEMBL16760597 0.86 RET (0.77) RETKIF5BKDR
SCHEMBL16760395 0.85 RET (0.81) RETKIF5BKDR
SCHEMBL16760596 0.85 RET (0.78) RETKIF5BKDR
SCHEMBL29571310 0.85 RET (1.00) RETKIF5BKDR
SCHEMBL20399516 0.85 RET (1.00) RETKIF5BKDR
Hydrochloric Acid SCHEMBL16760467 0.84 RET (0.98) RETKIF5BKDR
SCHEMBL16760557 0.83 RET (0.74) 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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