SCHEMBL3782341

SCHEMBL3782341

COc1cncc(-c2ccc3nc(NC(=O)O)sc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.56
PIK3CA P42336 9/20 0.53
ABL1 P00519 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
DYRK1A Q13627 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
WNT3A P56704 1/20 0.42
SCD O00767 1/20 0.42

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
SCHEMBL13189215 0.88 KMT2A (0.53) PIK3CGPIK3CAABL1NPC1RAB9A
SCHEMBL10081131 0.82 RAB9A (0.54) PIK3CGPIK3CANPC1RAB9ADYRK1A
SCHEMBL3714334 0.81 PIK3CG (0.44) PIK3CGPIK3CAABL1NPC1RAB9A
SCHEMBL3709559 0.81 PIK3CG (0.83) PIK3CGPIK3CAABL1
SCHEMBL13188752 0.80 PIK3CG (0.53) PIK3CGPIK3CAABL1DYRK1A
SCHEMBL3710786 0.79 PIK3CA (0.51) PIK3CGPIK3CAABL1NPC1RAB9A
SCHEMBL10080973 0.78 PDE10A (0.50) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL3708514 0.77 PIK3CG (0.47) PIK3CGPIK3CACYP1A2CYP3A4CYP2C19
SCHEMBL8146900 0.77 ABL1 (0.49) ABL1NPC1RAB9ASMN1; SMN2WNT3A
SCHEMBL13188161 0.77 PIK3CG (0.51) PIK3CGPIK3CAABL1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed