SCHEMBL13891705

SCHEMBL13891705

O=C1c2c(nc(N3CCOCC3)nc2-c2ccc(F)cc2F)OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.38
PIK3R1 P27986 6/20 0.38
CASP1 P29466 1/20 0.37
CASP5 P51878 1/20 0.37
PIK3CA P42336 5/20 0.35
TACR1 P25103 3/20 0.34
PIK3CG P48736 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ADRB2 P07550 1/20 0.34
FPR1 P21462 1/20 0.34
GPR183 P32249 1/20 0.34
APLNR P35414 1/20 0.34
GLP1R P43220 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
GPR35 Q9HC97 1/20 0.34
TNIK Q9UKE5 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL13891717 0.91 ADRB2 (0.43) MTORPIK3R1CASP1CASP5PIK3CA
SCHEMBL13891619 0.89 MTOR (0.47) MTORPIK3R1CASP1CASP5PIK3CA
SCHEMBL13891764 0.85 PIK3R1 (0.38) MTORPIK3R1CASP1CASP5PIK3CA
SCHEMBL13891704 0.85 PIK3R1 (0.46) MTORPIK3R1CASP1CASP5PIK3CA
SCHEMBL13891687 0.84 PIK3R1 (0.41) MTORPIK3R1CASP1CASP5TACR1
SCHEMBL13891741 0.82 MTOR (0.46) MTORPIK3R1CASP1CASP5PIK3CA
SCHEMBL13891719 0.78 TACR1 (0.48) CASP1CASP5TACR1ROCK2ROCK1
SCHEMBL13891737 0.78 TACR1 (0.41) TACR1ROCK2ROCK1ADRB2FPR1
SCHEMBL13891766 0.77 KDM4E (0.38) MTORPIK3R1CASP1CASP5TACR1
SCHEMBL13891759 0.77 TACR1 (0.37) TACR1ROCK2ROCK1ADRB2FPR1

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
EP-1473295-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2009-04-01 EP disclosed