SCHEMBL15534256

SCHEMBL15534256

COc1ccc(-c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
MKNK2 Q9HBH9 8/20 0.46
MKNK1 Q9BUB5 5/20 0.46
FLT3 P36888 2/20 0.46
SRC P12931 2/20 0.45
ZAP70 P43403 2/20 0.45
SYK P43405 2/20 0.45
CDK2 P24941 4/20 0.45
CDK4 P11802 2/20 0.45
GSK3B P49841 3/20 0.44
CLK2 P49760 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
STK16 O75716 1/20 0.44
CLK1 P49759 1/20 0.44
CLK3 P49761 1/20 0.44
KDR P35968 1/20 0.43
IRAK1 P51617 1/20 0.43
NEK4 P51957 1/20 0.43
MAP4K2 Q12851 1/20 0.43

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
SCHEMBL15533895 0.85 GSK3B (0.58) CDK9FLT3SRCZAP70SYK
SCHEMBL15534016 0.83 SYK (0.53) CCNT1CDK9MKNK2MKNK1FLT3
SCHEMBL15533545 0.80 DYRK1A (0.49) FLT3SRCZAP70SYKCDK2
SCHEMBL27115514 0.76 SYK (0.52) SRCZAP70SYKCDK2CDK4
SCHEMBL30451078 0.74 CYP1A1 (0.55) CRHR1
SCHEMBL25337185 0.72 PIK3CA (0.54) SRCZAP70SYKCDK2CDK4
SCHEMBL30554567 0.72 PIK3CA (0.54) SRCZAP70SYKCDK2CDK4
SCHEMBL30554485 0.72 KCNH2 (0.57) SRCZAP70SYKCDK2CDK4
SCHEMBL25337625 0.72 KCNH2 (0.57) SRCZAP70SYKCDK2CDK4
SCHEMBL3524417 0.71 IKBKB (0.71) CCNT1CDK9GSK3B

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