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SCHEMBL4799766

SCHEMBL4799766

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DDT P30046 1/20 0.32
▸ MAPK14 Q16539 6/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ MALT1 Q9UDY8 5/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ TYK2 P29597 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ CNR1 P21554 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
SCHEMBL4799754 0.90 MAPK14 (0.37) DDTMAPK14CNR2NR1I2TYK2
SCHEMBL4783259 0.88 MAPK14 (0.34) MAPK14NR1I2MALT1BRAF
SCHEMBL4781726 0.85 MAPK14 (0.41) DDTMAPK14MALT1
SCHEMBL4781875 0.84 SCN10A (0.34) MAPK14NR1I2MALT1RAF1BRAF
SCHEMBL4783784 0.83 TEK (0.40) DDTCNR2NR1I2RAF1BRAF
SCHEMBL4783260 0.82 MAPK14 (0.31) MAPK14NR1I2RAF1BRAF
SCHEMBL4781042 0.82 BRAF (0.32) MAPK14CNR2NR1I2RAF1BRAF
SCHEMBL13843781 0.82 APP (0.36) DDTMAPK14NR1I2BRAF
SCHEMBL4783359 0.82 MAPK14 (0.35) MAPK14NR1I2MALT1RAF1BRAF
SCHEMBL4780945 0.81 DDT (0.33) DDTNR1I2

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