SCHEMBL5740841

SCHEMBL5740841

COC(=O)Oc1cn2ncnc(Nc3cccc4ncccc34)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDR P35968 3/20 0.43
▸ MAPK14 Q16539 15/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL5740291 0.85 KDR (0.61) KDRMAPK14
SCHEMBL5738800 0.83 KDR (0.48) KDRMAPK14
SCHEMBL5741657 0.78 MAPK14 (0.44) KDRMAPK14
SCHEMBL5739893 0.77 KDR (0.71) KDRMAPK14
SCHEMBL5740703 0.76 ADORA1 (0.41) MEN1KMT2AKDRMAPK14SMN1; SMN2
SCHEMBL5739937 0.75 KDR (0.56) MEN1KMT2AKDRMAPK14SMN1; SMN2
SCHEMBL5740473 0.75 MAP2K1 (0.52) KDRMAPK14
SCHEMBL5739102 0.75 KDR (0.51) KDR
SCHEMBL5740633 0.74 MAPK14 (0.52) MAPK14
SCHEMBL5740297 0.74 KDR (0.46) 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
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