SCHEMBL5740816

SCHEMBL5740816

COC(=O)Oc1cn2ncnc(Nc3ccc4cn[nH]c4c3)c2c1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.53
ERBB2 P04626 2/20 0.53
KDR P35968 13/20 0.48
RET P07949 1/20 0.48
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
SYK P43405 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 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
SCHEMBL5740309 0.86 KDR (0.54) EGFRERBB2KDRRET
SCHEMBL1460895 0.85 KDR (0.67) EGFRERBB2KDR
SCHEMBL5740358 0.84 EGFR (0.66) EGFRERBB2KDRRET
SCHEMBL5740103 0.83 KDR (0.59) EGFRKDR
SCHEMBL5739560 0.82 KDR (0.48) EGFRERBB2KDR
SCHEMBL5740776 0.82 KDR (0.53) EGFRKDR
SCHEMBL5738812 0.81 KDR (0.49) EGFRKDR
SCHEMBL5739951 0.81 KDR (0.71) EGFRKDR
SCHEMBL5739719 0.81 KDR (0.57) EGFRKDR
SCHEMBL5740556 0.80 KDR (0.62) EGFRKDR

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