SCHEMBL13891764

SCHEMBL13891764

O=C1c2c(nc(N3CCOCC3)nc2-c2ccccc2I)OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 4/20 0.38
MTOR P42345 3/20 0.38
TACR1 P25103 6/20 0.36
ADRB2 P07550 1/20 0.36
FPR1 P21462 1/20 0.36
GPR183 P32249 1/20 0.36
APLNR P35414 1/20 0.36
GLP1R P43220 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PIK3CA P42336 2/20 0.35
CASP1 P29466 1/20 0.35
CASP5 P51878 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34

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) PIK3R1MTORTACR1ADRB2FPR1
SCHEMBL13891704 0.88 PIK3R1 (0.46) PIK3R1MTORTACR1PIK3CACASP1
SCHEMBL13891705 0.85 MTOR (0.38) PIK3R1MTORTACR1ADRB2FPR1
SCHEMBL13891619 0.84 MTOR (0.47) PIK3R1MTORTACR1PIK3CACASP1
SCHEMBL13891687 0.82 PIK3R1 (0.41) PIK3R1MTORTACR1CASP1CASP5
SCHEMBL13891741 0.82 MTOR (0.46) PIK3R1MTORTACR1PIK3CACASP1
SCHEMBL13891719 0.81 TACR1 (0.48) TACR1CASP1CASP5ROCK2ROCK1
SCHEMBL6508415 0.81 TACR1 (0.44) PIK3R1MTORTACR1TSHR
SCHEMBL29373661 0.81 TACR1 (0.44) PIK3R1MTORTACR1TSHR
SCHEMBL13891766 0.80 KDM4E (0.38) PIK3R1MTORTACR1ADRB2FPR1

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