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SCHEMBL299340

SCHEMBL299340

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N(CO)c3ccncc3)c3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.64
▸ MAPK12 P53778 14/20 0.64
▸ HCK P08631 8/20 0.64
▸ TNF P01375 2/20 0.64
▸ MAPK13 O15264 3/20 0.61
▸ MAPK11 Q15759 3/20 0.61
▸ DDR2 Q16832 1/20 0.61
▸ SRC P12931 2/20 0.56
▸ BRAF P15056 1/20 0.56
▸ PTK2 Q05397 1/20 0.55

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
SCHEMBL296302 0.89 MAPK14 (0.64) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL29593428 0.83 MAPK14 (0.69) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL295357 0.83 MAPK14 (0.69) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL296301 0.82 MAPK14 (0.73) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL29594500 0.82 MAPK14 (0.64) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL295750 0.82 MAPK14 (0.64) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL29594163 0.81 MAPK14 (0.77) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL295665 0.81 MAPK14 (0.77) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL6298539 0.80 MAPK14 (0.76) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL299715 0.79 MAPK14 (0.85) MAPK14MAPK12HCKTNFSRC

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
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 — — EP claimed