SCHEMBL3149867

SCHEMBL3149867

Cc1ccc(C(=O)[N]C2CC2)cc1-n1cnc2c(-c3ccc(F)cc3F)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.38
MAPK11 Q15759 4/20 0.38
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
HTR5A P47898 1/20 0.33
KIT P10721 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL3154098 0.89 HTR7 (0.34) MAPK14MAPK11PI4KAPI4K2BPI4K2A
SCHEMBL3148991 0.75 MAPK14 (0.49) MAPK14KIT
SCHEMBL3154106 0.73 MAPK14 (0.49) MAPK14MAPK11
SCHEMBL3146065 0.72 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12KIT
SCHEMBL3149695 0.72 MAPK14 (0.41) MAPK14
SCHEMBL3149778 0.71 MAPK14 (0.48) MAPK14
SCHEMBL3145569 0.70 MAPK14 (0.50) MAPK14KIT
SCHEMBL3145748 0.69 MAPK14 (0.48) MAPK14MAPK11
SCHEMBL3148658 0.69 MAPK14 (0.48) MAPK14KIT
SCHEMBL3144145 0.68 MAPK14 (0.53) MAPK14MAPK11

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-1699800-B1 BICYCLIC HETEROCYCLIC P-38 KINASE INHIBITORS NOVARTIS AG (CH) 2010-02-10 EP claimed