SCHEMBL6184934

SCHEMBL6184934

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2cccnc2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
KDR P35968 4/20 0.50
EGFR P00533 3/20 0.50
FGFR1 P11362 3/20 0.50
ABCB1 P08183 6/20 0.49
ABCC1 P33527 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACLY P53396 3/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
SLC2A1 P11166 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL4325571 0.76 RAF1 (0.47) KDREGFRFGFR1
SCHEMBL4238744 0.75 MEN1 (0.57) MAPK14LMNAHSP90AA1MAPTHTT
SCHEMBL4081981 0.74 MAPK14 (0.58) MAPK14EGFRHSP90AA1
SCHEMBL4081496 0.74 MAPK14 (0.58) MAPK14
SCHEMBL1599556 0.74 MAPK14 (0.70) MAPK14ABCB1CYP1A2CYP3A4CYP2C9
SCHEMBL1492785 0.73 PSEN1 (0.57) MAPK14LMNAHSP90AA1MAPTHTT
SCHEMBL1911847 0.72 NPC1 (0.65) CYP1A2CYP3A4LMNAMAPTSLC2A1
SCHEMBL6639189 0.71 MAPK14 (0.67) MAPK14LMNAMAPTRECQL
SCHEMBL16106825 0.71 HTT (0.61) MAPK14CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL26324280 0.71 MAPK14 (0.61) MAPK14CYP1A2CYP3A4CYP2C9CYP2C19

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-1042305-B1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER PHARMACEUTICALS CORP (US) 2005-06-08 EP claimed