SCHEMBL4442948

SCHEMBL4442948

Fc1ccc2cc(CCNc3ncnc4[nH]cnc34)c(-c3cccnc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.43
GBA1 P04062 2/20 0.38
CLK4 Q9HAZ1 6/20 0.38
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C19 P33261 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 3/20 0.38
CYP2C9 P11712 2/20 0.38
MAPK1 P28482 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
HSD17B10 Q99714 4/20 0.37
MAP4K4 O95819 3/20 0.37

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
SCHEMBL17240937 0.84 PIK3CG (0.52) PIK3CGALDH1A1LMNAMAPK1PIK3CD
Water SCHEMBL17240976 0.83 PIK3CG (0.51) PIK3CGALDH1A1LMNAMAPK1PIK3CD
SCHEMBL4432954 0.81 PIK3CD (0.38) PIK3CGCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4435013 0.81 PIK3CD (0.37) PIK3CGCLK4CYP1A2CYP3A4CYP2D6
SCHEMBL27781196 0.79 PIK3CD (0.55) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL4178387 0.79 PIK3CD (0.55) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL248986 0.79 PIK3CD (0.40) PIK3CGCLK4ALDH1A1MEN1LMNA
SCHEMBL18798891 0.78 PIK3CG (0.50) PIK3CGLMNAMAPK1PIK3CDPIK3CA
SCHEMBL249677 0.78 PIK3CD (0.36) PIK3CGCLK4ALDH1A1MEN1LMNA
SCHEMBL4442917 0.78 PIK3CD (0.42) PIK3CGLMNAMAPK1PIK3CDPIK3CA

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-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed