SCHEMBL14293828

SCHEMBL14293828

Cc1nc(Nc2ccc(O)c(F)c2)nc(NC2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.44
▸ RPS6KA6 Q9UK32 1/20 0.43
▸ IDH2 P48735 1/20 0.42
▸ TNK2 Q07912 1/20 0.41
▸ CTSL P07711 3/20 0.40
▸ CTSB P07858 3/20 0.40
▸ CTSS P25774 3/20 0.40
▸ CTSK P43235 3/20 0.40
▸ CTSV O60911 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ CTSH P09668 1/20 0.40
▸ CASP14 P31944 1/20 0.40
▸ CASP4 P49662 1/20 0.40
▸ CASP5 P51878 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CTSZ Q9UBR2 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ SYK P43405 1/20 0.39

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
SCHEMBL14293956 0.94 RAB9A (0.53) RAB9ARPS6KA6CTSLCTSBCTSS
SCHEMBL14293983 0.87 RAB9A (0.53) RAB9ACTSLCTSBCTSSCTSK
SCHEMBL4839000 0.86 CTSL (0.56) IDH2CTSLCTSBCTSSCTSK
SCHEMBL14300476 0.85 TNIK (0.43) RAB9ARPS6KA6TNK2SYK
SCHEMBL14294391 0.81 RAB9A (0.62) RAB9ACTSLCTSBCTSSCTSK
SCHEMBL4837042 0.81 IDH2 (0.55) RAB9ARPS6KA6IDH2CTSLCTSB
SCHEMBL14294112 0.81 RAB9A (0.45) RAB9ARPS6KA6CTSLCTSBCTSS
SCHEMBL14294400 0.81 ROCK1 (0.52) RAB9ACTSLCTSBCTSSCTSK
SCHEMBL14294421 0.81 RAB9A (0.46) RAB9ARPS6KA6TNK2CTSLCTSB
SCHEMBL4829395 0.81 CTSS (0.53) RAB9AIDH2CTSLCTSBCTSS

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 3 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-7332490-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
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