SCHEMBL13604623

SCHEMBL13604623

NC(=O)Nc1cc(Nc2nc(F)nc(Nc3cccc(S)c3)n2)ccc1N=Nc1cc2c(S)cc(S)cc2cc1S

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.32
▸ RHOA P61586 1/20 0.32
▸ CDC7 O00311 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ CDK7 P50613 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ PRKX P51817 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ MAP4K2 Q12851 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ MELK Q14680 1/20 0.30
▸ PKN2 Q16513 1/20 0.30
▸ HIPK2 Q9H2X6 1/20 0.30

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
SCHEMBL13604784 0.93 CA12 (0.31) —
SCHEMBL14164099 0.84 MEN1 (0.31) —
SCHEMBL13604556 0.84 CA12 (0.33) —
SCHEMBL14222100 0.82 POLB (0.32) —
SCHEMBL13611632 0.80 KCNH3 (0.33) —
SCHEMBL14159925 0.72 MAPT (0.36) KIF11
SCHEMBL14159936 0.71 MAPT (0.41) KIF11
SCHEMBL13611367 0.69 POLB (0.40) CDK2
SCHEMBL18801519 0.68 KCNH3 (0.33) —
SCHEMBL13881077 0.68 FUT8 (0.40) —

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-7632316-B2 Reactive dyestuff, method for production thereof and use of the same DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-15 — — US disclosed
US-20080189880-A1 Reactive Dyestuff, Method For Production Thereof and Use of the Same DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-08-14 — — US disclosed
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