SCHEMBL1699349

SCHEMBL1699349

CCc1cnc2c([nH]c(=O)n2-c2ccc(O)cc2)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 6/20 0.38
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
MAPK1 P28482 1/20 0.33
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL1699212 0.83 MAP3K11 (0.40) MAP3K11KDM4EMEN1KMT2AHPGD
SCHEMBL1699627 0.79 KDM4E (0.40) MAP3K11KDM4EMEN1KMT2AHPGD
SCHEMBL1699077 0.78 MAP3K11 (0.39) MAP3K11KDM4EMEN1KMT2AHPGD
SCHEMBL1699264 0.77 MAP3K11 (0.40) MAP3K11KDM4EMEN1KMT2AHPGD
SCHEMBL1699169 0.76 MAP3K11 (0.39) MAP3K11KDM4EMEN1KMT2AHPGD
SCHEMBL1699227 0.71 MEN1 (0.44) MAP3K11KDM4EMEN1KMT2AHPGD
SCHEMBL1699205 0.70 MEN1 (0.43) MAP3K11KDM4EMEN1KMT2AHPGD
SCHEMBL15385957 0.70 MAP3K11 (0.41) MAP3K11KDM4EMEN1KMT2AHPGD
SCHEMBL1699265 0.68 NPC1 (0.46) KDM4EMEN1KMT2AHPGDRXFP1
SCHEMBL1702888 0.65 MAP3K11 (0.36) MAP3K11KDM4EMEN1KMT2AHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed