SCHEMBL18138240

SCHEMBL18138240

Nc1nn(CC2CC2)cc1N=O

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL18138241 0.78 NOTUM (0.35) PDE10A
SCHEMBL18138235 0.75 ALDH1A1 (0.40) ADORA3ALDH1A1SMN1; SMN2
SCHEMBL18138285 0.73 LMNA (0.35) MEN1ALDH1A1KMT2ASMN1; SMN2PDE10A
SCHEMBL24612004 0.72 NOTUM (0.42) HDAC1HDAC2PDE10A
SCHEMBL18412911 0.71 CRHR1 (0.35) FGFR1FGFR2FGFR3HDAC1HDAC2
SCHEMBL28170670 0.67 BRD4 (0.36) MEN1ALDH1A1KMT2A
SCHEMBL18138239 0.67 DRD2 (0.39) ALDH1A1KMT2A
SCHEMBL21087670 0.67 LRRK2 (0.40) ADORA3MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL15650720 0.67 MAPT (0.36) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL31352232 0.67 LMNA (0.38) ADORA3MEN1KMT2A

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-2016164754-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-13 WO disclosed