SCHEMBL21337672

SCHEMBL21337672

Cc1nn(C(C)c2oc(=O)c3ccccc3c2Cc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 15/20 0.47
▸ RET P07949 2/20 0.44
▸ PIK3CB P42338 5/20 0.41
▸ PIK3CA P42336 4/20 0.41
▸ PIK3CG P48736 4/20 0.41
▸ SRC P12931 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ HCK P08631 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL16783846 0.91 RET (0.42) PIK3CDRETPIK3CBPIK3CAPIK3CG
SCHEMBL16783573 0.84 KDM4E (0.41) PIK3CDRETPIK3CBPIK3CAPIK3CG
SCHEMBL16783540 0.83 PIK3CD (0.46) PIK3CDRETPIK3CBPIK3CAPIK3CG
SCHEMBL16783509 0.83 PIK3CD (0.59) PIK3CDPIK3CBPIK3CAPIK3CGSRC
SCHEMBL21337779 0.80 PIK3CD (0.47) PIK3CDRETPIK3CBPIK3CAPIK3CG
SCHEMBL21337762 0.78 PIK3CD (0.45) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL21337805 0.76 PIK3CD (0.56) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL21337793 0.76 PIK3CD (0.45) PIK3CDPIK3CBPIK3CG
SCHEMBL21337767 0.76 PIK3CD (0.47) PIK3CDRETPIK3CBPIK3CGSRC
SCHEMBL24494698 0.76 PIK3CD (0.48) PIK3CDPIK3CBPIK3CAPIK3CGSRC

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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