SCHEMBL30013632

SCHEMBL30013632

CCC(c1oc2ccc(F)cc2c(=O)c1-c1ccccc1)n1cnc2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 13/20 0.49
▸ PIK3CG P48736 4/20 0.49
▸ PIK3R2 O00459 2/20 0.49
▸ PIK3R1 P27986 3/20 0.44
▸ CSNK1E P49674 1/20 0.44
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ PI4KA P42356 2/20 0.37
▸ PI4K2B Q8TCG2 2/20 0.37
▸ PI4K2A Q9BTU6 2/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37

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
SCHEMBL9178 1.00 PIK3CD (0.49) PIK3CDPIK3CGPIK3R2PIK3R1CSNK1E
SCHEMBL30670844 0.91 ADORA2A (0.44) PIK3CDPIK3CGPIK3R2PIK3R1ADORA2A
SCHEMBL8877 0.91 ADORA2A (0.44) PIK3CDPIK3CGPIK3R2PIK3R1ADORA2A
SCHEMBL7838 0.91 PIK3CD (0.51) PIK3CDPIK3CGPIK3R2PIK3R1CSNK1E
SCHEMBL30013385 0.91 PIK3CD (0.51) PIK3CDPIK3CGPIK3R2PIK3R1CSNK1E
SCHEMBL30670903 0.90 PIK3CD (0.43) PIK3CDPIK3CGPIK3R2PIK3R1CSNK1E
SCHEMBL9274 0.90 PIK3CD (0.43) PIK3CDPIK3CGPIK3R2PIK3R1CSNK1E
SCHEMBL8597 0.89 PIK3CD (0.53) PIK3CDPIK3CGPIK3R2PIK3R1CSNK1E
SCHEMBL30670872 0.89 PIK3CD (0.53) PIK3CDPIK3CGPIK3R2PIK3R1CSNK1E
SCHEMBL8478 0.83 ADORA2A (0.41) PIK3CDPIK3R1ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117222413-A Methods and combinations for treating tumors 同润生物医药(上海)有限公司 2023-12-12 — — CN claimed
WO-2022171121-A1 METHOD AND COMBINATION FOR TREATING TUMORS 同润生物医药(上海)有限公司 2022-08-18 — — WO claimed
CN-117222413-A Methods and combinations for treating tumors 同润生物医药(上海)有限公司 2023-12-12 — — CN disclosed
WO-2022171121-A1 METHOD AND COMBINATION FOR TREATING TUMORS 同润生物医药(上海)有限公司 2022-08-18 — — WO disclosed
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