SCHEMBL7625355

SCHEMBL7625355

CNCCC(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.73
MAPK13 O15264 11/20 0.73
MAPK12 P53778 11/20 0.73
MAPK11 Q15759 11/20 0.73
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
GSK3B P49841 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL6640691 0.90 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL6642849 0.88 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL6640467 0.86 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL6639813 0.86 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL6642185 0.86 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL6641436 0.85 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL6638752 0.85 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL6643419 0.85 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL6639932 0.85 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL6639110 0.84 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ADORA2A

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
US-6440973-B1 Aryl and heteroaryl substituted fused pyrrole antiinflammatory agents AMGEN INC. 2002-08-27 US disclosed