SCHEMBL5741555

SCHEMBL5741555

CCOC(=O)Oc1cn2ncnc(Nc3ccc(OC)cc3)c2c1CC

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.59
ERBB2 P04626 7/20 0.59
MAP2K1 Q02750 1/20 0.52
KDR P35968 9/20 0.47
MAP4K4 O95819 1/20 0.43
MAPK14 Q16539 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5740274 0.90 EGFR (0.56) EGFRERBB2MAP2K1KDRMAP4K4
SCHEMBL5739459 0.90 EGFR (0.74) EGFRERBB2MAP2K1KDRMAPK14
SCHEMBL5739277 0.89 EGFR (0.58) EGFRERBB2MAP2K1KDRMAP4K4
SCHEMBL5740085 0.89 EGFR (0.62) EGFRERBB2MAP2K1KDRMAP4K4
SCHEMBL5740887 0.88 EGFR (0.50) EGFRERBB2MAP2K1KDRMAPK14
SCHEMBL5739484 0.85 EGFR (0.54) EGFRERBB2MAP2K1KDRMAPK14
SCHEMBL5740197 0.85 KDR (0.66) EGFRERBB2KDRMAPK14
SCHEMBL1461096 0.84 EGFR (0.81) EGFRERBB2MAP2K1KDRMAPK14
SCHEMBL5740337 0.84 KDR (0.54) EGFRERBB2KDRMAPK14
SCHEMBL5740201 0.83 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