SCHEMBL4003640

SCHEMBL4003640

Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(N2CCN(Cc3ccccc3)C2=O)cn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.53
CYP2C9 P11712 1/20 0.53
HDAC1 Q13547 1/20 0.50
RIPK2 O43353 11/20 0.49
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4003547 0.90 HDAC1 (0.54) MAPK14CYP2C9HDAC1RIPK2
SCHEMBL4002899 0.84 MAPK14 (0.57) MAPK14CYP2C9RIPK2
SCHEMBL4143741 0.79 NPC1 (0.59) MAPK14CYP2C9RIPK2SMN1; SMN2
SCHEMBL4007396 0.79 MAPK14 (0.60) MAPK14CYP2C9RIPK2
SCHEMBL4006648 0.78 MAPK14 (0.56) MAPK14CYP2C9RIPK2
SCHEMBL3093442 0.75 MAPK14 (0.77) MAPK14CYP2C9RIPK2
SCHEMBL4005132 0.75 MAPK14 (0.59) MAPK14RIPK2
SCHEMBL4003836 0.73 MAPK14 (0.55) MAPK14CYP2C9RIPK2
SCHEMBL4007418 0.72 MAPK14 (0.51) MAPK14CYP2C9RIPK2
SCHEMBL4003034 0.72 MAPK14 (0.68) MAPK14CYP2C9RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009078992-A1 LINEAR TRICYCLIC COMPOUNDS AS P38 KINASE INHIBITORS AMGEN INC. (US) 2009-06-25 WO claimed
WO-2009078992-A1 LINEAR TRICYCLIC COMPOUNDS AS P38 KINASE INHIBITORS AMGEN INC. (US) 2009-06-25 WO disclosed
WO-2009078992-A1 LINEAR TRICYCLIC COMPOUNDS AS P38 KINASE INHIBITORS AMGEN INC. (US) 2009-06-25 WO disclosed