SCHEMBL14833277

SCHEMBL14833277

[c]1ccc2ncc(-c3cn[nH]c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.52
▸ FGFR3 P22607 13/20 0.41
▸ KDR P35968 13/20 0.41
▸ FGFR1 P11362 12/20 0.41
▸ FGFR2 P21802 12/20 0.41
▸ FGFR4 P22455 11/20 0.41
▸ ILK Q13418 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ FLT3 P36888 1/20 0.39

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
SCHEMBL5211835 0.79 MAPK1 (0.59) MAPK1FGFR3KDRFGFR1FGFR2
SCHEMBL29590784 0.79 MAPK1 (0.59) MAPK1FGFR3KDRFGFR1FGFR2
SCHEMBL16642057 0.73 MAPK1 (0.52) MAPK1FGFR3KDRFGFR1FGFR2
SCHEMBL28334784 0.73 DHODH (0.39) MAPK1KDR
SCHEMBL12178898 0.73 TLR9 (0.55) MAPK1FGFR3KDRFGFR1FGFR2
SCHEMBL2592957 0.73 MAPK1 (0.52) MAPK1FGFR3KDRFGFR1FGFR2
SCHEMBL19749836 0.73 MAPK1 (0.52) MAPK1FGFR3KDRFGFR1FGFR2
SCHEMBL5885621 0.71 TLR9 (0.53) MAPK1KDRFLT3
SCHEMBL28334783 0.71 HPGD (0.51) FGFR3KDR
SCHEMBL197153 0.70 AKT2 (0.61) MAPK1ILKAKT1AKT2

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
WO-2013049701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-04-04 — — WO claimed
Send feedback