SCHEMBL15534009

SCHEMBL15534009

COc1ccc(-c2ccnc(Nc3ccc(C(F)(F)F)nc3)n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
JAK2 O60674 4/20 0.48
SYK P43405 4/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CG P48736 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
PIK3CB P42338 2/20 0.48
CDK2 P24941 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
EGFR P00533 1/20 0.48
PTK2B Q14289 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL15533865 0.85 SYK (0.53) MAPTJAK2SYKPIK3CAPIK3CG
SCHEMBL15533252 0.81 DKK1 (0.47) JAK2SYKPIK3CAPIK3CGPIK3CB
SCHEMBL15534241 0.80 CLK1 (0.63) MAPTJAK2SYKPIK3CAPIK3CG
SCHEMBL15533965 0.80 SYK (0.51) MAPTJAK2SYKPIK3CAPIK3CG
SCHEMBL15533704 0.80 ABL1 (0.47) MAPTJAK2PIK3CAPIK3CGKDM4E
SCHEMBL4901089 0.79 MEN1 (0.62) JAK2PIK3CAPIK3CGPIK3CBCDK2
SCHEMBL4737479 0.79 PLK1 (0.61) JAK2SYKPIK3CAPIK3CGPIK3CB
SCHEMBL14088787 0.79 JAK2 (0.59) JAK2PIK3CAPIK3CGPIK3CBCDK2
SCHEMBL4903233 0.79 JAK2 (0.65) JAK2PIK3CAPIK3CGPIK3CBCDK2
SCHEMBL15533684 0.78 DYRK1A (0.47) MAPTJAK2SYKPIK3CAPIK3CG

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