SCHEMBL29011693

SCHEMBL29011693

Cc1nc(N)sc1-c1ccnc(C2(C(F)(F)F)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.55
▸ HRH2 P25021 2/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ HRH4 Q9H3N8 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ NPC1 O15118 4/20 0.35
▸ PIK3CG P48736 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ PIK3CD O00329 3/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 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
SCHEMBL1059811 0.82 PIK3CA (0.48) PIK3CANPC1PIK3CGALDH1A1MAPT
SCHEMBL30476481 0.82 PIK3CA (0.48) PIK3CANPC1PIK3CGALDH1A1MAPT
SCHEMBL29011654 0.80 PIK3CA (0.59) PIK3CAPIK3CGPIK3CDPIK3CBGAK
SCHEMBL1938188 0.78 PIK3CA (0.55) PIK3CANPC1PIK3CGALDH1A1MAPT
SCHEMBL1938594 0.77 PIK3CA (0.54) PIK3CANPC1PIK3CGALDH1A1MAPT
SCHEMBL1938764 0.76 PIK3CA (0.48) PIK3CAHRH2HRH1HRH4HRH3
SCHEMBL30500997 0.76 PIK3CA (0.51) PIK3CAPIK3CGPIK3CDPIK3CBGAK
SCHEMBL15801542 0.76 PIK3CA (0.51) PIK3CAPIK3CGPIK3CDPIK3CBGAK
SCHEMBL29011680 0.74 PIK3CA (0.65) PIK3CAPIK3CGPIK3CDPIK3CBGAK
SCHEMBL24023236 0.73 MEN1 (0.41) PIK3CAHRH2HRH1HRH4HRH3

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
CN-116987073-A PI3K alpha/HDAC 6 subtype selective dual inhibitor and application thereof 嘉兴学院 2023-11-03 — — CN disclosed
CN-116239591-A (4R) -sulfonamido-L-prolinamide compound, preparation method, application and pharmaceutical composition thereof 嘉兴学院 2023-06-09 — — CN disclosed
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