SCHEMBL5740449

SCHEMBL5740449

CCOC(=O)Oc1cn2ncnc(Nc3ccc(OC)nc3)c2c1OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.49
MAP2K1 Q02750 1/20 0.46
EGFR P00533 6/20 0.45
ERBB2 P04626 6/20 0.45
MAP4K4 O95819 1/20 0.41
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5740293 0.92 MAP2K1 (0.49) KDRMAP2K1EGFRERBB2
SCHEMBL5740887 0.90 EGFR (0.50) KDRMAP2K1EGFRERBB2
SCHEMBL5522435 0.87 KDR (0.62) KDRMAP2K1EGFRERBB2
SCHEMBL5739706 0.84 KDR (0.70) KDREGFR
SCHEMBL5739638 0.84 KDR (0.48) KDRMAP2K1EGFRMEN1PABPC1
SCHEMBL5740347 0.83 EGFR (0.46) KDRMAP2K1EGFRERBB2
SCHEMBL4044547 0.82 MAP2K1 (0.67) KDRMAP2K1EGFRERBB2
SCHEMBL5516129 0.80 EGFR (0.68) KDRMAP2K1EGFRERBB2
SCHEMBL14451959 0.80 KDR (0.48) KDRMAP2K1EGFRMEN1PABPC1
SCHEMBL5740924 0.79 EGFR (0.48) KDRMAP2K1EGFRERBB2

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