SCHEMBL15533865

SCHEMBL15533865

COc1ccc(-c2ccnc(Nc3ccc(C(F)(F)F)cc3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.53
CDK2 P24941 3/20 0.53
JAK2 O60674 4/20 0.52
JAK3 P52333 1/20 0.52
PIK3CA P42336 4/20 0.51
PIK3CG P48736 4/20 0.51
PIK3CB P42338 3/20 0.51
EGFR P00533 1/20 0.51
PTK2B Q14289 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
DYRK1A Q13627 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
FLT3 P36888 1/20 0.49

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
SCHEMBL15534241 0.88 CLK1 (0.63) SYKCDK2JAK2PIK3CAPIK3CG
SCHEMBL12274955 0.85 ABL1 (0.56) SYKCDK2JAK2PIK3CAPIK3CG
SCHEMBL15534009 0.85 MAPT (0.48) SYKCDK2JAK2JAK3PIK3CA
SCHEMBL15533684 0.85 DYRK1A (0.47) SYKCDK2JAK2PIK3CAPIK3CG
SCHEMBL15533545 0.85 DYRK1A (0.49) SYKCDK2JAK2PIK3CAPIK3CG
SCHEMBL4901089 0.84 MEN1 (0.62) CDK2JAK2JAK3PIK3CAPIK3CG
SCHEMBL4737479 0.84 PLK1 (0.61) SYKCDK2JAK2JAK3PIK3CA
SCHEMBL14088787 0.84 JAK2 (0.59) CDK2JAK2JAK3PIK3CAPIK3CG
SCHEMBL4903233 0.82 JAK2 (0.65) CDK2JAK2PIK3CAPIK3CGPIK3CB
SCHEMBL25337070 0.81 KCNH2 (0.51) SYKCDK2MEN1KMT2ACLK4

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