SCHEMBL15534016

SCHEMBL15534016

COc1ccc(-c2ccnc(Nc3cccc(C(F)(F)F)n3)n2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.53
CDK9 P50750 4/20 0.48
CCNT1 O60563 3/20 0.48
MKNK2 Q9HBH9 7/20 0.47
MKNK1 Q9BUB5 5/20 0.47
FLT3 P36888 2/20 0.47
MAP4K4 O95819 2/20 0.47
FGFR1 P11362 2/20 0.47
FLT1 P17948 2/20 0.47
KDR P35968 2/20 0.47
CDK5 Q00535 2/20 0.47
ACVR1 Q04771 2/20 0.47
AURKB Q96GD4 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
AURKA O14965 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
MAPK8 P45983 1/20 0.47

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
SCHEMBL15534256 0.83 CCNT1 (0.47) SYKCDK9CCNT1MKNK2MKNK1
SCHEMBL15533818 0.82 CYP2D6 (0.50) SYKCDK9CCNT1MAP4K4FGFR1
SCHEMBL15533895 0.81 GSK3B (0.58) SYKCDK9FLT3MAP4K4FGFR1
SCHEMBL15533965 0.81 SYK (0.51) SYKFLT3CLK4DYRK1APIK3CA
SCHEMBL27115517 0.78 SYK (0.47) SYKCDK5ABL1GSK3BCDK2
SCHEMBL30451078 0.73 CYP1A1 (0.55)
SCHEMBL27115516 0.72 SYK (0.48) SYKPLK1
SCHEMBL3524417 0.72 IKBKB (0.71) CDK9CCNT1MAPK8GSK3B
SCHEMBL15534293 0.71 SYK (0.49) SYKFLT3CLK4DYRK1BCLK2
SCHEMBL17145021 0.69 CYP1A1 (0.62)

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-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO claimed
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO disclosed