SCHEMBL7086996

SCHEMBL7086996

CC(C)Nc1nc(Cl)c(CC(=O)O)n(-c2cccc(C#N)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.42
PIK3CD O00329 3/20 0.41
PIK3R1 P27986 3/20 0.41
NOTUM Q6P988 1/20 0.40
CXCR3 P49682 1/20 0.38
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PIK3R2 O00459 4/20 0.35
F2 P00734 2/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 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
SCHEMBL5848346 0.75 F7 (0.53) F2F7F3
SCHEMBL15813339 0.65 PIK3CD (0.65) PIK3CDPIK3R1PIK3R2
SCHEMBL15818373 0.64 PIK3CD (0.59) PIK3CDPIK3R1PIK3R2
SCHEMBL3833549 0.62 NOTUM (0.53) MAT2ANOTUMCXCR3ALDH1A1TP53
SCHEMBL14726605 0.62 PIK3CD (0.49) MAT2APIK3CDPIK3R1NPBWR1MCHR1
SCHEMBL5846898 0.61 F7 (0.68) F2F7F3
SCHEMBL15812549 0.61 PIK3CD (0.51) PIK3CDPIK3R1CXCR3
SCHEMBL15819283 0.61 PIK3CD (0.48) PIK3CDPIK3R1PIK3R2
SCHEMBL15812448 0.61 PIK3CD (0.66) PIK3CDPIK3R1PIK3R2
SCHEMBL15812450 0.61 PIK3CD (0.66) PIK3CDPIK3R1PIK3R2

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-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP disclosed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed