SCHEMBL7899446

SCHEMBL7899446

O=C(CCCCCNc1nc(-c2cccc3[nH]ncc23)nc2cc(CN3CCNCC3)sc12)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
PIK3CD O00329 17/20 0.50
PIK3CA P42336 17/20 0.50
PIK3CB P42338 15/20 0.50
PIK3CG P48736 15/20 0.50
PIK3C2A O00443 1/20 0.48
PLK4 O00444 1/20 0.48
PIK3R2 O00459 1/20 0.48
PIK3C2B O00750 1/20 0.48
GAK O14976 1/20 0.48
EPHB6 O15197 1/20 0.48
DAPK3 O43293 1/20 0.48
STK16 O75716 1/20 0.48
PIK3C2G O75747 1/20 0.48
NTRK1 P04629 1/20 0.48
NQO2 P16083 1/20 0.48
CSNK2A2 P19784 1/20 0.48
JAK1 P23458 1/20 0.48
PIK3R1 P27986 1/20 0.48

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
SCHEMBL14679286 1.00 ABCC4 (0.52) ABCC4ABCB11PIK3CDPIK3CAPIK3CB
SCHEMBL7714078 0.99 ABCC4 (0.52) ABCC4ABCB11PIK3CDPIK3CAPIK3CB
SCHEMBL14679288 0.97 PIK3CD (0.51) ABCC4ABCB11PIK3CDPIK3CAPIK3CB
SCHEMBL1621821 0.93 PIK3CA (0.58) ABCC4ABCB11PIK3CDPIK3CAPIK3CB
SCHEMBL1619914 0.92 PIK3CA (0.59) ABCC4ABCB11PIK3CDPIK3CAPIK3CB
SCHEMBL19216016 0.90 ABCC4 (0.65) ABCC4ABCB11PIK3CDPIK3CAPIK3CB
SCHEMBL19216017 0.90 ABCC4 (0.65) ABCC4ABCB11PIK3CDPIK3CAPIK3CB
SCHEMBL19216043 0.90 ABCC4 (0.66) ABCC4ABCB11PIK3CDPIK3CAPIK3CB
SCHEMBL13137207 0.89 ABCC4 (0.49) ABCC4ABCB11PIK3CDPIK3CAPIK3CB
SCHEMBL13137215 0.89 ABCC4 (0.49) ABCC4ABCB11PIK3CDPIK3CAPIK3CB

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
US-8367663-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-02-05 US disclosed
WO-2010080996-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2010-07-15 WO disclosed