SCHEMBL16655392

SCHEMBL16655392

CCC(=O)Nc1ccccc1Nc1nccc(N(C)c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.48
FGFR1 P11362 1/20 0.44
EPHB4 P54760 1/20 0.44
AURKA O14965 1/20 0.43
MAPK14 Q16539 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
SCHEMBL16665206 0.85 KDR (0.44) KDRFGFR1EPHB4AURKA
SCHEMBL16665205 0.83 L3MBTL1 (0.51) KDRFGFR1EPHB4
SCHEMBL16665212 0.77 KDR (0.50) KDRFGFR1EPHB4AURKA
SCHEMBL18793023 0.75 KDR (0.51) KDRFGFR1EPHB4AURKA
SCHEMBL16655795 0.75 L3MBTL1 (0.44) KDRFGFR1EPHB4AURKA
SCHEMBL16665207 0.74 KDR (0.46) KDRFGFR1EPHB4AURKA
SCHEMBL13980512 0.73 KDR (0.52) KDRFGFR1EPHB4
SCHEMBL18793161 0.73 KDR (0.74) KDRAURKA
SCHEMBL16665217 0.72 MAPK3 (0.48) FGFR1
SCHEMBL18793228 0.71 KDR (0.72) KDRAURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed