SCHEMBL4403755

SCHEMBL4403755

CC(=O)c1ccc2[nH]nc(C#N)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
KIF11 P52732 1/20 0.42
LRRK2 Q5S007 7/20 0.42
NTRK1 P04629 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 3/20 0.40
MAP2K4 P45985 2/20 0.40
MAPKAPK3 Q16644 2/20 0.40
MAPK6 Q16659 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SLC2A1 P11166 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 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
SCHEMBL10282869 0.88 ACACB (0.43) ACACBACACAKIF11LRRK2MEN1
SCHEMBL1758985 0.86 MAP2K4 (0.47) ACACBACACANTRK1KMT2AMAPK1
SCHEMBL4403097 0.84 ACACB (0.45) ACACBACACALRRK2NTRK1MAPK1
SCHEMBL1759274 0.84 KDM4E (0.47) ACACBACACAKIF11NTRK1MEN1
SCHEMBL18555394 0.81 HCRTR1 (0.53) MEN1KMT2AMAPK1JAK2
SCHEMBL4404641 0.78 JAK2 (0.58) KIF11HTR1AHTR1DHTR1BJAK2
SCHEMBL16308650 0.78 KIF11 (0.50) KIF11MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL16125483 0.76 KIF11 (0.45) KIF11MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL15479089 0.76 KIF11 (0.45) KIF11MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL4407745 0.76 PRKAB2 (0.47) KIF11MAPK1MAP2K4MAPKAPK3MAPK6

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