SCHEMBL14294391

SCHEMBL14294391

Oc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.62
S1PR1 P21453 1/20 0.49
PDE4A P27815 1/20 0.49
PTGS2 P35354 1/20 0.48
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
CTSV O60911 2/20 0.47
PLAT P00750 2/20 0.47
CTSL P07711 2/20 0.47
CTSH P09668 2/20 0.47
CASP14 P31944 2/20 0.47
CASP6 P55212 2/20 0.47
CTSZ Q9UBR2 2/20 0.47
CTSB P07858 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46

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
SCHEMBL14293983 0.94 RAB9A (0.53) RAB9AS1PR1PTGS2CTSSCTSK
SCHEMBL14293956 0.88 RAB9A (0.53) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL4832885 0.88 RAB9A (0.65) RAB9AS1PR1PDE4APTGS2CTSS
SCHEMBL4829395 0.87 CTSS (0.53) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL14294400 0.87 ROCK1 (0.52) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL14294421 0.87 RAB9A (0.46) RAB9AS1PR1PTGS2CTSSCTSK
SCHEMBL14293969 0.86 RAB9A (0.46) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL4829670 0.86 RAB9A (0.46) RAB9AS1PR1CTSSCTSKCTSV
SCHEMBL5029172 0.86 RAB9A (0.70) RAB9APDE4APTGS2CTSSCTSK
SCHEMBL4837042 0.85 IDH2 (0.55) RAB9AS1PR1CTSSCTSKCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed