SCHEMBL4072877

SCHEMBL4072877

COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(Nc2c(F)cccc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.38
KIF11 P52732 3/20 0.38
KDM4E B2RXH2 2/20 0.37
FGFR1 P11362 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
PPARG P37231 1/20 0.36
NR1H3 Q13133 1/20 0.36
LCK P06239 1/20 0.36
HTT P42858 2/20 0.36
ALOX15 P16050 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CRACR2A Q9BSW2 1/20 0.35
IDH1 O75874 3/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 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
SCHEMBL4078270 0.90 RXRA (0.46) RXRAKIF11PPARGNR1H3HTT
SCHEMBL647102 0.88 IL2 (0.41) RXRAKDM4EFGFR1CRACR2ARAB9A
SCHEMBL648476 0.87 GABRA5 (0.38) RXRAKIF11KDM4EFGFR1ACSS2
SCHEMBL648270 0.85 ALDH1A1 (0.43) RXRAKIF11KDM4EFGFR1ALDH1A1
SCHEMBL647040 0.84 KIF11 (0.41) RXRAKIF11KDM4EIDH1
SCHEMBL647099 0.82 RXRA (0.37) RXRAKIF11KDM4EFGFR1PPARG
SCHEMBL647190 0.82 STIM1 (0.38) RXRAKIF11KDM4EPPARGNR1H3
SCHEMBL645412 0.82 RXRA (0.37) RXRAKIF11KDM4EFGFR1PPARG
SCHEMBL647445 0.81 IDH1 (0.37) RXRAKDM4EPPARGNR1H3IDH1
SCHEMBL645940 0.81 IDH1 (0.37) RXRAKDM4EPPARGNR1H3IDH1

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-2009038775-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-03-26 WO disclosed