SCHEMBL21337789

SCHEMBL21337789

CC(C)C1OC(c2ccc(-c3c(C(C)n4nc(-c5cc(O)cc(F)c5)c5c(N)ncnc54)oc(=O)c4ccccc34)s2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 20/20 0.46
▸ PIK3CB P42338 12/20 0.46
▸ PIK3CG P48736 9/20 0.46
▸ PIK3CA P42336 8/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ HCK P08631 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ EPHB4 P54760 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45
▸ PIK3R1 P27986 1/20 0.40
▸ CSNK1E P49674 1/20 0.40

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
SCHEMBL16783698 0.91 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CAABL1
SCHEMBL16783541 0.83 PIK3CD (0.54) PIK3CDPIK3CBPIK3CGPIK3CAABL1
SCHEMBL16783833 0.83 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CAABL1
SCHEMBL16783759 0.83 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CAABL1
SCHEMBL16783769 0.82 PIK3CD (0.56) PIK3CDPIK3CBPIK3CGPIK3CAABL1
Hydrochloric Acid SCHEMBL16783803 0.82 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CAABL1
SCHEMBL16783531 0.81 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CAABL1
SCHEMBL16806470 0.81 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CAABL1
SCHEMBL16783633 0.81 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CAABL1
SCHEMBL16783570 0.81 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPIK3CAABL1

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
EP-3083617-B1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-09-11 — — EP disclosed
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