SCHEMBL5740358

SCHEMBL5740358

CCOC(=O)Oc1cn2ncnc(Nc3ccc4cn[nH]c4c3)c2c1CC

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.66
ERBB2 P04626 14/20 0.66
KDR P35968 5/20 0.46
RET P07949 1/20 0.42

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
SCHEMBL4044015 0.86 EGFR (0.87) EGFRERBB2KDR
SCHEMBL5740816 0.84 EGFR (0.53) EGFRERBB2KDRRET
SCHEMBL5740197 0.83 KDR (0.66) EGFRERBB2KDR
SCHEMBL5740274 0.82 EGFR (0.56) EGFRERBB2KDR
SCHEMBL5740337 0.82 KDR (0.54) EGFRERBB2KDR
SCHEMBL5739277 0.81 EGFR (0.58) EGFRERBB2KDR
SCHEMBL5740085 0.81 EGFR (0.62) EGFRERBB2KDR
SCHEMBL5739484 0.81 EGFR (0.54) EGFRERBB2KDR
SCHEMBL5741555 0.81 EGFR (0.59) EGFRERBB2KDR
SCHEMBL5740201 0.80 EGFR (0.75) EGFRERBB2KDR

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-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed