SCHEMBL3711629

SCHEMBL3711629

Nc1nc2ccc(-c3cncc(N4CCOCC4)c3)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
MAPT P10636 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
TP53 P04637 1/20 0.67
ALOX15 P16050 1/20 0.67
PIK3CA P42336 15/20 0.63
PI4KA P42356 11/20 0.52
PI4KB Q9UBF8 11/20 0.52
PIK3CD O00329 10/20 0.52
PIP5K1C O60331 3/20 0.52
PIK3CB P42338 9/20 0.52
PIK3CG P48736 9/20 0.52
GAA P10253 1/20 0.48
APP P05067 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46

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
SCHEMBL31114781 0.88 NPC1 (0.82) NPC1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL25259671 0.88 NPC1 (0.82) NPC1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL3707950 0.84 PIK3CA (0.50) NPC1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL3707953 0.84 PIK3CA (0.53) NPC1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL74296 0.81 RAB9A (1.00) NPC1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL3710139 0.80 LRRK2 (0.56) SMN1; SMN2PIK3CAPIK3CG
SCHEMBL12928473 0.78 PIK3CA (0.61) NPC1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL29970478 0.77 PIK3CA (1.00) NPC1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL28617302 0.77 PIK3CA (1.00) NPC1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL25834482 0.76 MAPT (0.63) NPC1MAPTRAB9ASMN1; SMN2TP53

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