SCHEMBL30670844

SCHEMBL30670844

CCC(c1oc2ccccc2c(=O)c1-c1ccccc1)n1cnc2c(N)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.44
▸ ADORA2B P29275 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ PIK3CD O00329 9/20 0.44
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CG P48736 3/20 0.38
▸ PIK3R2 O00459 2/20 0.38

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
SCHEMBL8877 1.00 ADORA2A (0.44) ADORA2AADORA2BADORA1PIK3CDCA1
SCHEMBL30670903 0.94 PIK3CD (0.43) ADORA2AADORA2BADORA1PIK3CDPI4KA
SCHEMBL9274 0.94 PIK3CD (0.43) ADORA2AADORA2BADORA1PIK3CDPI4KA
SCHEMBL9178 0.91 PIK3CD (0.49) ADORA2AADORA2BADORA1PIK3CDPI4KA
SCHEMBL30013632 0.91 PIK3CD (0.49) ADORA2AADORA2BADORA1PIK3CDPI4KA
SCHEMBL7838 0.91 PIK3CD (0.51) ADORA2AADORA2BADORA1PIK3CDPI4KA
SCHEMBL30013385 0.91 PIK3CD (0.51) ADORA2AADORA2BADORA1PIK3CDPI4KA
SCHEMBL8633 0.88 PIK3CD (0.52) ADORA2AADORA2BADORA1PIK3CDCA1
SCHEMBL30670886 0.88 PIK3CD (0.52) ADORA2AADORA2BADORA1PIK3CDCA1
SCHEMBL8478 0.88 ADORA2A (0.41) ADORA2AADORA2BADORA1PIK3CDPI4KA

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
EP-4292596-A1 METHOD AND COMBINATION FOR TREATING TUMORS Curon Biopharmaceutical (Shanghai) Co., Limited (CN) 2023-12-20 — — EP 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 claimed
EP-4292596-A1 METHOD AND COMBINATION FOR TREATING TUMORS Curon Biopharmaceutical (Shanghai) Co., Limited (CN) 2023-12-20 — — EP disclosed
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
Send feedback