SCHEMBL20154112

SCHEMBL20154112

FC(F)(F)c1[nH]ncc1-c1nc(Cl)c(Cl)c(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.51
PIK3R1 P27986 5/20 0.51
PIK3CG P48736 4/20 0.51
PIK3CA P42336 11/20 0.43
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PIK3CB P42338 3/20 0.41
NPSR1 Q6W5P4 1/20 0.39
GLA P06280 1/20 0.39
IDH1 O75874 1/20 0.38
MTOR P42345 3/20 0.37
PIK3C2B O00750 2/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
PI4KB Q9UBF8 2/20 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
SCHEMBL20154113 0.84 ATR (0.49) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL20138951 0.81 PIK3CD (0.45) PIK3CDPIK3R1PIK3CGPIK3CAPIK3CB
SCHEMBL20154205 0.66 ATR (0.47) PIK3CDPIK3R1PIK3CGPIK3CAMTOR
SCHEMBL20143028 0.66 CDC7 (0.49) PIK3CDPIK3CATSHRNPSR1MTOR
SCHEMBL13828835 0.65 PIK3CA (0.67) PIK3CDPIK3R1PIK3CGPIK3CACLK4
SCHEMBL4973147 0.65 SMN1; SMN2 (0.48) PIK3R1PIK3CACYP1A2CYP2D6NPSR1
SCHEMBL2153312 0.63 PIK3CA (0.66) PIK3CDPIK3R1PIK3CGPIK3CACLK4
SCHEMBL20154109 0.62 NPSR1 (0.49) CYP3A4TSHRNPSR1
SCHEMBL25320935 0.62 PIK3CA (0.49) PIK3CDPIK3R1PIK3CGPIK3CAUSP2
SCHEMBL31058395 0.62 PIK3CA (0.49) PIK3CDPIK3R1PIK3CGPIK3CAUSP2

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-3538523-B1 PYRIMIDINONE DERIVATIVES AS CDC7 INHIBITORS CANCER RESEARCH TECH LTD (GB) 2021-05-19 EP disclosed
WO-2018087527-A1 PYRIMIDINONE DERIVATIVES AS CDC7 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-05-17 WO disclosed