SCHEMBL6028902

SCHEMBL6028902

Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)c2ccccc2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.56
MAP2K1 Q02750 1/20 0.53
KIT P10721 2/20 0.51
LCK P06239 2/20 0.51
KDR P35968 2/20 0.51
MAPK11 Q15759 2/20 0.49
HSPB1 P04792 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
BRPF1 P55201 1/20 0.48
CREBBP Q92793 1/20 0.48
CECR2 Q9BXF3 1/20 0.48
BRD9 Q9H8M2 1/20 0.48
BRD7 Q9NPI1 1/20 0.48
MAPK13 O15264 1/20 0.47
CSF1R P07333 1/20 0.47
RIPK2 O43353 1/20 0.46
NPC1 O15118 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
SCHEMBL3086445 0.84 MAPK14 (0.73) MAPK14KITLCKKDRMAPK11
SCHEMBL27642672 0.82 MAPK14 (0.56) MAPK14MAP2K1KITLCKKDR
SCHEMBL3087207 0.81 MAPK14 (0.61) MAPK14KITLCKKDRMAPK11
SCHEMBL13715075 0.81 MAPK14 (0.56) MAPK14MAP2K1MAPK11HSPB1CYP2C9
SCHEMBL31367847 0.80 MAPK14 (0.74) MAPK14KITLCKKDRMAPK11
SCHEMBL178414 0.79 MAPK14 (0.60) MAPK14MAPK11HSPB1CYP2C9NPC1
Hydrochloric Acid SCHEMBL28078 0.78 MAPK14 (0.59) MAPK14MAPK11HSPB1CYP2C9NPC1
SCHEMBL1383833 0.76 MAPK14 (0.54) MAPK14KITLCKKDRMAPK11
SCHEMBL5630096 0.74 MAPK14 (0.87) MAPK14LCKKDRMAPK11HSPB1
SCHEMBL25728178 0.74 MAPK14 (0.73) MAPK14LCKKDRMAPK11HSPB1

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
EP-1687284-A2 p-38 KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP claimed
WO-2005012241-A2 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-10 WO claimed