SCHEMBL3687165

SCHEMBL3687165

COc1cccc(-c2ccc3nc(NC(=O)NCCc4nnn(C(C)C)n4)cn3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.48
METTL3 Q86U44 1/20 0.43
PIK3CG P48736 2/20 0.43
ALDH1A3 P47895 2/20 0.41
MAP3K5 Q99683 2/20 0.38
PIK3CA P42336 4/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
PIK3CD O00329 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
MAPK10 P53779 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.35
CNR1 P21554 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
SCHEMBL1303033 0.90 EGLN1 (0.46) EGLN1PIK3CGMAP3K5PIK3CAPIK3CD
SCHEMBL1303473 0.88 MAP3K5 (0.48) EGLN1PIK3CGALDH1A3MAP3K5PIK3CA
SCHEMBL1302407 0.85 MAP3K5 (0.44) EGLN1PIK3CGMAP3K5PIK3CAPIK3CD
SCHEMBL1302756 0.85 PIK3CA (0.42) PIK3CGMAP3K5PIK3CAPIK3CD
SCHEMBL1303642 0.85 MAP3K5 (0.52) PIK3CGMAP3K5PIK3CA
SCHEMBL1302482 0.84 CLK2 (0.47) EGLN1PIK3CGMAP3K5PIK3CAPIK3CD
SCHEMBL1304051 0.84 PIK3CA (0.46) PIK3CGMAP3K5PIK3CAPIK3CD
SCHEMBL1302775 0.83 MAP3K5 (0.40) PIK3CGMAP3K5PIK3CAPIK3CD
SCHEMBL1303623 0.82 PIK3CA (0.39) PIK3CGMAP3K5PIK3CAPIK3CD
SCHEMBL1303382 0.82 PIK3CA (0.40) PIK3CGMAP3K5PIK3CAPIK3CD

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-2178868-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Novartis Ag (CH) 2010-04-28 EP claimed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO claimed