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SCHEMBL4781875

SCHEMBL4781875

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-n2cc(C(=O)NN3CCCCC3)nn2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 4/20 0.34
▸ RAF1 P04049 3/20 0.32
▸ BRAF P15056 3/20 0.32
▸ MAPK14 Q16539 6/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ MALT1 Q9UDY8 3/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4781871 0.90 MAPK14 (0.37) BRAFMAPK14CNR1
SCHEMBL4783260 0.88 MAPK14 (0.31) RAF1BRAFMAPK14NR1I2
SCHEMBL4783259 0.88 MAPK14 (0.34) BRAFMAPK14NR1I2MALT1
SCHEMBL4781042 0.87 BRAF (0.32) SCN10ARAF1BRAFMAPK14NR1I2
SCHEMBL4779949 0.86 MAPK14 (0.37) BRAFMAPK14NR1I2CNR1KDM4E
SCHEMBL4799766 0.84 DDT (0.32) RAF1BRAFMAPK14NR1I2MALT1
SCHEMBL4782655 0.82 GPR119 (0.33) RAF1BRAFMAPK14NR1I2
SCHEMBL4783890 0.82 GPR119 (0.32) RAF1BRAFMAPK14NR1I2
SCHEMBL4782086 0.81 GPR119 (0.32) MAPK14NR1I2
SCHEMBL4781726 0.81 MAPK14 (0.41) MAPK14MALT1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 — — WO disclosed