SCHEMBL28114025

SCHEMBL28114025

Nc1nc2ccc(-c3n[nH]cc3N)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 13/20 0.55
▸ PI4KB Q9UBF8 13/20 0.55
▸ PIK3CA P42336 13/20 0.55
▸ PIK3CD O00329 13/20 0.54
▸ PIK3CG P48736 11/20 0.54
▸ PIK3CB P42338 10/20 0.54
▸ PIP5K1C O60331 5/20 0.54
▸ ALKBH5 Q6P6C2 1/20 0.50
▸ FTO Q9C0B1 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL29646253 0.79 PIK3CA (0.82) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL5532470 0.79 PIK3CA (0.82) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL19031537 0.75 ALKBH5 (0.62) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL16296381 0.73 PIK3CA (0.77) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL8773471 0.71 PIK3CA (1.00) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL27034701 0.71 PI4KA (0.60) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL31404204 0.71 PI4KA (0.60) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL25303570 0.70 MAPT (0.74) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL9722748 0.70 PIK3CA (0.73) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL31114470 0.70 PIK3CA (0.73) PI4KAPI4KBPIK3CAPIK3CDPIK3CG

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
CN-104024253-B Heterocyclic amines as PI3K inhibitors INCYTE HOLDINGS CORP. (US) 2016-11-30 — — CN disclosed
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