SCHEMBL15533965

SCHEMBL15533965

COc1ccc(-c2ccnc(Nc3cccc(C(F)(F)F)n3)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 2/20 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
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
JAK2 O60674 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
SCHEMBL27115517 0.86 SYK (0.47) SYKMAPTPIK3CGPIK3CAPIK3CB
SCHEMBL15533545 0.82 DYRK1A (0.49) SYKMAPTHPGDKDM4EALDH1A1
SCHEMBL15534293 0.82 SYK (0.49) SYKMAPTKDM4EALDH1A1GAA
SCHEMBL15533691 0.81 MAPT (0.47) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL15534016 0.81 SYK (0.53) SYKDYRK1ACLK4FLT3PIK3CG
SCHEMBL27115516 0.81 SYK (0.48) SYK
SCHEMBL15533684 0.80 DYRK1A (0.47) SYKMAPTHPGDKDM4EALDH1A1
SCHEMBL15534009 0.80 MAPT (0.48) SYKMAPTHPGDKDM4EALDH1A1
SCHEMBL15534241 0.80 CLK1 (0.63) SYKMAPTLMNADYRK1ACLK4
SCHEMBL15533961 0.79 CAMKK2 (0.53) MAPTHPGDKDM4EALDH1A1HSD17B10

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