SCHEMBL23950576

SCHEMBL23950576

Cn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cc3c(=O)n(C)cnc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41
BRD4 O60885 3/20 0.40
NPBWR1 P48145 1/20 0.40
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
RAD51 Q06609 1/20 0.38
TYK2 P29597 1/20 0.38
SYK P43405 8/20 0.38
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
HSP90AA1 P07900 2/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL23416849 0.90 FGFR2 (0.40) EPHB4TEKBRD4NPBWR1FGFR2
SCHEMBL23950561 0.86 BRD4 (0.43) BRD4FGFR3SYKPIM1FLT3
SCHEMBL23950267 0.84 TYK2 (0.39) EPHB4TEKNPBWR1FGFR2FGFR3
SCHEMBL23951134 0.84 EPHB4 (0.38) EPHB4TEKNPBWR1FGFR2FGFR3
SCHEMBL23950919 0.84 PIK3CA (0.39) EPHB4TEKNPBWR1FGFR2FGFR3
SCHEMBL30101847 0.84 PIK3CA (0.39) EPHB4TEKNPBWR1FGFR2FGFR3
SCHEMBL23950694 0.84 EPHB4 (0.38) EPHB4TEKNPBWR1FGFR2FGFR3
SCHEMBL23950744 0.83 KCNH2 (0.41) EPHB4TEKNPBWR1FGFR2FGFR3
SCHEMBL23950750 0.83 HSP90AA1 (0.38) EPHB4TEKNPBWR1FGFR2FGFR3
SCHEMBL23925513 0.83 TYK2 (0.40) EPHB4TEKNPBWR1FGFR2FGFR3

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-2021210970-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2021-10-21 WO disclosed