SCHEMBL15549871

SCHEMBL15549871

COc1ccc(-c2cc(C(F)(F)F)n3nc(C4=CCN(C(=O)OC(C)(C)C)C(C)C4)cc3n2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FUBP1 Q96AE4 5/20 0.58
MAPT P10636 9/20 0.56
TP53 P04637 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
KDM4E B2RXH2 4/20 0.53
HPGD P15428 4/20 0.53
THRB P10828 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL20509002 0.85 MAPT (0.55) FUBP1MAPTTP53TDP1TSHR
SCHEMBL17481124 0.78 HPGD (0.66) FUBP1MAPTTP53TDP1TSHR
SCHEMBL21945591 0.78 MAPT (0.53) FUBP1MAPTTP53TDP1TSHR
SCHEMBL22628220 0.78 MAPT (0.53) FUBP1MAPTTP53TDP1TSHR
SCHEMBL19750283 0.78 MAPT (0.53) FUBP1MAPTTP53TDP1TSHR
SCHEMBL19750268 0.78 MAPT (0.53) FUBP1MAPTTP53TDP1TSHR
SCHEMBL17066247 0.72 MAPT (1.00) FUBP1MAPTTP53TDP1TSHR
SCHEMBL4203865 0.72 MAPT (1.00) FUBP1MAPTTP53TDP1TSHR
SCHEMBL17066232 0.72 MAPT (0.73) FUBP1MAPTTP53TDP1TSHR
SCHEMBL21945408 0.71 FUBP1 (0.79) FUBP1MAPTTP53TDP1TSHR

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
EP-2855476-A2 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2015-04-08 EP disclosed
WO-2013181579-A2 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R & D MANAGEMENT CO., LTD. (JP) 2013-12-05 WO disclosed