SCHEMBL21337718

SCHEMBL21337718

Cc1nn(C(C)c2oc(=O)c3ccccc3c2-c2ccc(CN3CCCCC3)s2)c2ncnc(N)c12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 19/20 0.42
▸ PIK3CG P48736 3/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ PIK3CB P42338 4/20 0.34
▸ PIK3CA P42336 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16806429 0.92 PIK3CD (0.36) PIK3CDPIK3CGPIK3R1CSNK1EPIK3CB
Hydrochloric Acid SCHEMBL16783802 0.92 PIK3CD (0.36) PIK3CDPIK3CGPIK3R1CSNK1EPIK3CB
SCHEMBL16806427 0.86 KDM5B (0.37) PIK3CDPIK3CGPIK3R1CSNK1EPIK3CB
SCHEMBL16783570 0.86 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CA
Hydrochloric Acid SCHEMBL16783821 0.85 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CA
Hydrochloric Acid SCHEMBL16783592 0.85 KDM5B (0.36) PIK3CDPIK3CGPIK3R1CSNK1EPIK3CB
SCHEMBL16783531 0.85 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBPIK3CA
Hydrochloric Acid SCHEMBL16783569 0.84 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL21337751 0.81 PIK3CD (0.38) PIK3CDPIK3CGPIK3R1CSNK1EPIK3CB
SCHEMBL16783641 0.80 PIK3CD (0.56) PIK3CDPIK3CGPIK3CBPIK3CA

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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