SCHEMBL4403122

SCHEMBL4403122

CCC(=O)c1ccc2[nH]nc(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.43
MAP2K4 P45985 2/20 0.43
MAPKAPK3 Q16644 2/20 0.43
MAPK6 Q16659 2/20 0.43
PAK1 Q13153 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
MAPK3 P27361 5/20 0.41
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 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
SCHEMBL1145076 0.82 MAP2K4 (0.57) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL31504557 0.82 MAP2K4 (0.57) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL16308650 0.82 KIF11 (0.50) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL23559721 0.81 MAP2K4 (0.58) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4403022 0.81 CDK8 (0.47) MAPK1PAK1MAPKAPK5MAPK3JAK2
SCHEMBL7984131 0.81 MAPK1 (0.53) MAPK1MAPK3KDM4EJAK2JAK1
SCHEMBL10282868 0.81 PAK1 (0.49) MAPK1MAP2K4MAPKAPK3MAPK6PAK1
SCHEMBL4404504 0.81 MEN1 (0.45) MAPK1MAP2K4MAPKAPK3MAPK6PAK1
SCHEMBL4780688 0.80 JAK2 (0.50) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL6618549 0.78 ADORA2A (0.43) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2

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
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 WO disclosed