SCHEMBL21337666

SCHEMBL21337666

Cc1nn(C(C)c2oc(=O)c3ccccc3c2C2=CCN(C(=O)CN(C)C)CC2)c2ncnc(N)c12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 15/20 0.36
▸ KIT P10721 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ PIK3CA P42336 3/20 0.34
▸ PIK3CB P42338 3/20 0.34
▸ PIK3CG P48736 3/20 0.34
▸ EED O75530 1/20 0.34
▸ RBBP4 Q09028 1/20 0.34
▸ SUZ12 Q15022 1/20 0.34
▸ EZH2 Q15910 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 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
SCHEMBL16806438 0.93 KIT (0.36) PIK3CDKITFLT3BTKPIK3CG
SCHEMBL21337663 0.92 PIK3CD (0.34) PIK3CDPIK3CAPIK3CBPIK3CG
Formic Acid SCHEMBL16783606 0.91 KIT (0.35) PIK3CDKITFLT3BTKPIK3CG
SCHEMBL21337803 0.90 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16783895 0.88 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21337760 0.86 PIK3CD (0.46) PIK3CDBTKPIK3CAPIK3CBPIK3CG
Formic Acid SCHEMBL16783395 0.86 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16806437 0.85 PIK3CD (0.32) PIK3CDPIK3CBPIK3CGHTTNPSR1
SCHEMBL21337664 0.85 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21337788 0.84 ATR (0.39) PIK3CDBTKPIK3CAPIK3CBPIK3CG

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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