SCHEMBL14294104

SCHEMBL14294104

CN(c1ccncc1)c1nc(Nc2ccc(O)c(F)c2)nc(NC2CCCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.42
▸ CTSS P25774 4/20 0.40
▸ CTSK P43235 4/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ RPS6KA6 Q9UK32 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSV O60911 1/20 0.39
▸ PLAT P00750 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSH P09668 1/20 0.39
▸ CASP14 P31944 1/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ CASP5 P51878 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CTSZ Q9UBR2 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL4832874 0.87 GALR1 (0.47) RAB9ACTSSCTSKROCK1CTSL
SCHEMBL14294400 0.87 ROCK1 (0.52) RAB9ACTSSCTSKROCK1S1PR1
SCHEMBL4829661 0.86 RAB9A (0.46) RAB9ACTSSCTSKS1PR1RPS6KA6
SCHEMBL14293957 0.82 RAB9A (0.43) RAB9ACTSSCTSKS1PR1RPS6KA6
SCHEMBL14293956 0.81 RAB9A (0.53) RAB9ACTSSCTSKS1PR1RPS6KA6
SCHEMBL5030715 0.80 CTSS (0.42) RAB9ACTSSCTSKROCK1S1PR1
SCHEMBL14293974 0.80 RAB9A (0.41) RAB9ACTSSCTSKS1PR1RPS6KA6
SCHEMBL14294404 0.80 RAB9A (0.41) RAB9ACTSSCTSKS1PR1RPS6KA6
SCHEMBL14294101 0.79 RAB9A (0.41) RAB9ACTSSCTSKS1PR1RPS6KA6
SCHEMBL14294098 0.79 IDH2 (0.43) RAB9ACTSSCTSKS1PR1RPS6KA6

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-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 — — US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — US disclosed
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