SCHEMBL5495688

SCHEMBL5495688

CCNc1c(C(N)=O)cccc1-c1ccc2ncncc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.42
ATM Q13315 4/20 0.42
POLQ O75417 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
TDO2 P48775 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PARP1 P09874 3/20 0.38
ATR Q13535 2/20 0.38
AR P10275 2/20 0.38
PDPK1 O15530 1/20 0.37
LRRK2 Q5S007 1/20 0.37
EGFR P00533 2/20 0.37
FGFR4 P22455 1/20 0.36

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
SCHEMBL5495693 0.83 MKNK1 (0.46) KCNH2ATMPOLQMKNK1MKNK2
SCHEMBL4316571 0.77 PIK3CD (0.43) PIK3CDPIK3CATDO2HSP90AA1PARP1
SCHEMBL7259314 0.74 BCAT2 (0.57) MKNK1MKNK2
SCHEMBL31031995 0.72 PIK3CD (0.47) POLQMKNK1MKNK2PIK3CDPIK3CA
SCHEMBL27893740 0.70 PIK3CD (0.54) MKNK1MKNK2PIK3CDPIK3CATDO2
SCHEMBL4316563 0.70 PIK3CD (0.43) MKNK2PIK3CDPIK3CATDO2PARP1
SCHEMBL3698508 0.68 MYC (0.44) KCNH2
SCHEMBL5495689 0.67 JAK2 (0.63) AREGFR
SCHEMBL4325902 0.67 PIK3CD (0.41) MKNK1MKNK2PIK3CDPIK3CATDO2
SCHEMBL24782968 0.67 EGFR (0.68) PIK3CDPIK3CATDO2AREGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed