SCHEMBL14294404

SCHEMBL14294404

CN(c1nc(Nc2ccc(O)c(F)c2)nc(NC2CCCCCC2)n1)C1CCC(N)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.41
▸ CTSS P25774 4/20 0.40
▸ CTSK P43235 4/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ PDGFRA P16234 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CTSL P07711 2/20 0.38
▸ CTSV O60911 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ CASP14 P31944 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP5 P51878 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CTSZ Q9UBR2 1/20 0.38
▸ RPS6KA6 Q9UK32 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
SCHEMBL14293957 0.92 RAB9A (0.43) RAB9ACTSSCTSKS1PR1CTSL
SCHEMBL14294110 0.89 CTSS (0.41) RAB9ACTSSCTSKS1PR1CTSL
SCHEMBL14293974 0.89 RAB9A (0.41) RAB9ACTSSCTSKS1PR1CTSL
SCHEMBL5030715 0.89 CTSS (0.42) RAB9ACTSSCTSKS1PR1CCNE1
SCHEMBL4838593 0.88 IDH2 (0.48) RAB9ACTSSCTSKS1PR1RPS6KA6
SCHEMBL4829742 0.87 BCL6 (0.47) RAB9ACTSSCTSKCTSL
SCHEMBL5032305 0.86 CTSS (0.40) RAB9ACTSSCTSKS1PR1CTSL
SCHEMBL14294101 0.86 RAB9A (0.41) RAB9ACTSSCTSKS1PR1CTSL
SCHEMBL4829661 0.85 RAB9A (0.46) RAB9ACTSSCTSKS1PR1CTSL
SCHEMBL14300022 0.83 IDH2 (0.50) CDK2RPS6KA6

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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