SCHEMBL14145396

SCHEMBL14145396

Bc1ccc2ncc(-c3ccc(C(=O)NC)cc3)n2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
PIK3CD O00329 1/20 0.53
PIK3CB P42338 1/20 0.53
PI4KA P42356 1/20 0.53
PIK3CG P48736 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
MKNK1 Q9BUB5 6/20 0.47
MKNK2 Q9HBH9 6/20 0.47
CLK1 P49759 1/20 0.44
FYN P06241 10/20 0.44
CYP3A4 P08684 1/20 0.42
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL14145116 0.86 ATM (0.63) ATMPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL14145557 0.77 ATM (0.53) ATMPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL27334083 0.77 ATM (1.00) ATMMKNK1MKNK2FYN
SCHEMBL14145882 0.75 ATM (0.51) ATMPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL14373184 0.74 FYN (0.55) ATMPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL25149703 0.73 ATM (0.51) ATMPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3850100 0.71 PIK3CA (0.53) ATMMKNK1MKNK2FYNCYP3A4
SCHEMBL3025915 0.71 MKNK1 (0.54) ATMPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL15717468 0.71 PIK3CD (0.69) ATMPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL15718930 0.71 PIK3CD (0.59) ATMPIK3CDPIK3CBPI4KAPIK3CG

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-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed