SCHEMBL901887

SCHEMBL901887

O=[N+]([O-])c1ccc(Cl)nc1Nc1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.53
MAPT P10636 4/20 0.49
RPS6KB2 Q9UBS0 2/20 0.44
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
PIN1 Q13526 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.41
GSK3B P49841 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TXNRD1 Q16881 2/20 0.40
AHR P35869 1/20 0.40
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL23410331 0.82 FGFR4 (0.51) FGFR4MAPTRPS6KB2FGFR1FGFR2
SCHEMBL4892092 0.82 MAPT (0.55) FGFR4MAPTRPS6KB2PIN1HTT
SCHEMBL18766140 0.74 FGFR4 (0.49) FGFR4MAPTRPS6KB2FGFR1FGFR2
SCHEMBL29392518 0.74 FGFR4 (0.49) FGFR4MAPTRPS6KB2FGFR1FGFR2
SCHEMBL29535826 0.74 MAPT (0.54) FGFR4MAPTRPS6KB2FGFR1FGFR2
SCHEMBL22719050 0.74 MAPT (0.54) FGFR4MAPTRPS6KB2FGFR1FGFR2
SCHEMBL1600402 0.74 PIN1 (0.65) FGFR4MAPTRPS6KB2PIN1HTT
SCHEMBL16037191 0.74 ALDH1A1 (0.61) MAPTHTTPOLBKMT2AMEN1
SCHEMBL9984336 0.72 MAPT (0.52) FGFR4MAPTRPS6KB2FGFR1FGFR2
SCHEMBL29636874 0.72 MAPT (0.59) FGFR4MAPTRPS6KB2FGFR1FGFR2

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-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed