SCHEMBL15534293

SCHEMBL15534293

Oc1ccc(-c2ccnc(Nc3cccc(C(F)(F)F)n3)n2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.49
IDH2 P48735 2/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
JAK2 O60674 1/20 0.43
FLT3 P36888 1/20 0.43
PLK1 P53350 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
SCHEMBL27115516 0.89 SYK (0.48) SYKIDH2PLK1
SCHEMBL15534057 0.82 CLK1 (0.47) SYKIDH2KDM4EMEN1ALDH1A1
SCHEMBL15533965 0.82 SYK (0.51) SYKKDM4EMEN1ALDH1A1GAA
SCHEMBL15533935 0.81 CLK4 (0.68) SYKKDM4EMEN1ALDH1A1POLB
SCHEMBL27115517 0.81 SYK (0.47) SYKIDH2MEN1MAPTKMT2A
SCHEMBL15534348 0.80 MEN1 (0.46) SYKKDM4EMEN1ALDH1A1POLB
SCHEMBL15533252 0.80 DKK1 (0.47) SYKCLK1CLK2DYRK1ACLK4
SCHEMBL15533886 0.80 CLK1 (0.67) SYKKDM4ECLK1CLK2DYRK1A
SCHEMBL15534101 0.80 TRPV1 (0.47) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL15533101 0.79 CCNB2 (0.55) KDM4EMEN1ALDH1A1POLBGAA

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