SCHEMBL17375380

SCHEMBL17375380

COc1ccc(-c2[nH]nc3ncnc(N)c23)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 18/20 0.67
▸ PIK3CA P42336 18/20 0.67
▸ PIK3CB P42338 18/20 0.67
▸ PIK3CG P48736 18/20 0.67
▸ PRKDC P78527 18/20 0.67
▸ ABL1 P00519 5/20 0.67
▸ SRC P12931 5/20 0.67
▸ HCK P08631 4/20 0.67
▸ KDR P35968 4/20 0.67
▸ MTOR P42345 4/20 0.67
▸ EPHB4 P54760 4/20 0.67
▸ PI4KB Q9UBF8 4/20 0.67
▸ EGFR P00533 3/20 0.67
▸ NUDT14 O95848 1/20 0.48
▸ NUDT5 Q9UKK9 1/20 0.48
▸ PDGFRB P09619 1/20 0.47
▸ PDGFRA P16234 1/20 0.47

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
SCHEMBL17365228 0.82 PDGFRB (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28456717 0.71 SRC (0.74) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19356065 0.71 PDGFRB (0.53) PDGFRBPDGFRA
SCHEMBL30387566 0.68 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8326897 0.67 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL9566549 0.67 PDGFRB (0.57) PDGFRBPDGFRA
SCHEMBL30955240 0.65 ALDH1A1 (0.67) PDGFRBPDGFRA
SCHEMBL149180 0.65 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28075509 0.65 GRK6 (0.60) PDGFRBPDGFRA
SCHEMBL2211964 0.65 ALDH1A1 (0.59) —

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
EP-3160968-A1 SUBSTITUTED CHROMENE DERIVATIVES AS SELECTIVE DUAL INHIBITORS OF PI3 DELTA AND GAMMA PROTEIN KINASES Rhizen Pharmaceuticals S.A. (CH) 2017-05-03 — — EP claimed
WO-2015198289-A1 SUBSTITUTED CHROMENE DERIVATIVES AS SELECTIVE DUAL INHIBITORS OF PI3 DELTA AND GAMMA PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2015-12-30 — — WO claimed
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