SCHEMBL4064011

SCHEMBL4064011

Cc1cnc2[nH]cc(C(=O)O)c2c1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.46
CAMKK2 Q96RR4 1/20 0.40
NTRK1 P04629 3/20 0.39
NEK1 Q96PY6 1/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
MAPK1 P28482 2/20 0.38
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
PIK3CG P48736 1/20 0.35
DYRK1A Q13627 1/20 0.35
GSK3B P49841 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL9923471 0.75 CAMKK2 (0.38) AXLCAMKK2JAK2JAK3PIK3CG
SCHEMBL23727504 0.74 MAP2K1 (0.42) AXLCAMKK2CDK8JAK2JAK3
SCHEMBL30136186 0.74 MAP2K1 (0.42) AXLCAMKK2CDK8JAK2JAK3
SCHEMBL9923093 0.72 CAMKK2 (0.38) AXLCAMKK2JAK2JAK3PIK3CG
SCHEMBL9923368 0.71 CAMKK2 (0.39) AXLCAMKK2JAK2JAK3PIK3CG
SCHEMBL28336849 0.68 CSNK2A1 (0.48) CAMKK2JAK2JAK3KDM4CDYRK1A
SCHEMBL30585872 0.68 CSNK2A1 (0.48) CAMKK2JAK2JAK3KDM4CDYRK1A
SCHEMBL23365594 0.67 MAP3K5 (0.44) CCNCCDK8KDM4C
SCHEMBL30122008 0.65 CSNK2A1 (0.52) AXLCDK8KDM4CGSK3B
SCHEMBL28994444 0.65 PKM (0.45) AXLCAMKK2CDK8MAPK1JAK2

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
EP-1641791-B1 3-(GUANIDINOCARBONYL)HETEROCYCLE DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed