SCHEMBL30014031

SCHEMBL30014031

Nc1ncnc2c1c(-c1cccc(F)c1)nn2CC1=C(c2ccccc2)Cc2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 9/20 0.48
▸ PIK3CG P48736 8/20 0.48
▸ PRKDC P78527 5/20 0.48
▸ PIK3CA P42336 4/20 0.48
▸ PIK3CB P42338 4/20 0.48
▸ SRC P12931 4/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ EGFR P00533 2/20 0.48
▸ HCK P08631 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ MTOR P42345 2/20 0.48
▸ EPHB4 P54760 2/20 0.48
▸ PI4KB Q9UBF8 2/20 0.48
▸ PIK3C2B O00750 1/20 0.47
▸ BTK Q06187 2/20 0.44
▸ RET P07949 1/20 0.44
▸ FYN P06241 2/20 0.44

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
SCHEMBL30013564 0.91 BTK (0.52) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB
SCHEMBL30013559 0.89 PIK3CG (0.55) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB
SCHEMBL30013434 0.85 PIK3CG (0.52) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB
SCHEMBL30013439 0.81 PIK3CD (0.45) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB
SCHEMBL27882603 0.81 PIK3CD (0.71) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB
SCHEMBL27900092 0.79 PIK3CD (0.45) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB
SCHEMBL30013557 0.78 SRC (0.42) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB
SCHEMBL27900223 0.74 PIK3CD (0.49) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB
SCHEMBL27900039 0.72 PIK3C2B (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL131144 0.71 PIK3CD (0.54) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB

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
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
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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