SCHEMBL5741996

SCHEMBL5741996

COC(=O)Oc1cn2ncnc(Nc3ccc(C)cn3)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.42
MAPK14 Q16539 11/20 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
SCHEMBL14451949 0.90 KDR (0.41) KDRMAPK14
SCHEMBL5738887 0.84 KDR (0.46) KDRMAPK14
SCHEMBL5740276 0.83 KDR (0.43) KDRMAPK14
SCHEMBL4045183 0.83 KDR (0.61) KDRMAPK14
SCHEMBL27888121 0.80 KDR (0.47) KDRMAPK14
SCHEMBL5741796 0.80 KDR (0.44) KDRMAPK14
SCHEMBL5740473 0.80 MAP2K1 (0.52) KDRMAPK14
SCHEMBL5739638 0.79 KDR (0.48) KDRMAPK14
SCHEMBL5740103 0.79 KDR (0.59) KDRMAPK14
SCHEMBL5739989 0.78 KDR (0.53) KDRMAPK14

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