SCHEMBL13891704

SCHEMBL13891704

O=C1c2c(nc(N3CCOCC3)nc2-c2ccccc2)OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 6/20 0.46
MTOR P42345 6/20 0.46
NPSR1 Q6W5P4 4/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
TACR1 P25103 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CASP1 P29466 2/20 0.37
CASP5 P51878 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL13891619 0.92 MTOR (0.47) PIK3R1MTORTACR1LMNATSHR
SCHEMBL13891741 0.89 MTOR (0.46) PIK3R1MTORTACR1PIK3CACASP1
SCHEMBL13891717 0.89 ADRB2 (0.43) PIK3R1MTORNPSR1ATMTDP1
SCHEMBL13891764 0.88 PIK3R1 (0.38) PIK3R1MTORNPSR1ATMTDP1
SCHEMBL13891705 0.85 MTOR (0.38) PIK3R1MTORTACR1PIK3CACASP1
SCHEMBL13891713 0.84 TACR1 (0.42) TACR1
SCHEMBL13891687 0.82 PIK3R1 (0.41) PIK3R1MTORTDP1L3MBTL1TACR1
SCHEMBL13891719 0.79 TACR1 (0.48) TACR1CASP1CASP5
SCHEMBL5530949 0.79 TACR1 (0.44) TACR1
SCHEMBL6790261 0.79 TACR1 (0.45) TACR1

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