Sugi Predict

Sugi Predict / Compounds / SCHEMBL4003547

SCHEMBL4003547

SCHEMBL4003547

COc1ccc(CN2CCN(c3ccc(-c4cc(C(=O)NC5CC5)ccc4C)nc3)C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.54
▸ RIPK2 O43353 12/20 0.52
▸ MAPK14 Q16539 4/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ DRD4 P21917 1/20 0.46
▸ BRD4 O60885 1/20 0.43

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
SCHEMBL4003640 0.90 MAPK14 (0.53) HDAC1RIPK2MAPK14CYP2C9
SCHEMBL4002899 0.81 MAPK14 (0.57) RIPK2MAPK14CYP2C9
SCHEMBL3093483 0.78 MAPK14 (0.68) HDAC1RIPK2MAPK14CYP2C9
SCHEMBL4005132 0.77 MAPK14 (0.59) RIPK2MAPK14DRD4BRD4
SCHEMBL4007396 0.76 MAPK14 (0.60) RIPK2MAPK14CYP2C9
SCHEMBL4143741 0.76 NPC1 (0.59) RIPK2MAPK14CYP2C9
SCHEMBL4006648 0.76 MAPK14 (0.56) RIPK2MAPK14CYP2C9
SCHEMBL3408888 0.75 MAPK14 (0.73) RIPK2MAPK14CYP2C9
SCHEMBL3093442 0.72 MAPK14 (0.77) RIPK2MAPK14CYP2C9
SCHEMBL3079711 0.72 MAPK14 (0.70) RIPK2MAPK14CYP2C9

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
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