SCHEMBL9686406

SCHEMBL9686406

Nc1cc2cccnc2c(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.55
PIK3CA P42336 13/20 0.55
PIK3CG P48736 10/20 0.55
MTOR P42345 5/20 0.55
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NCF1 P14598 1/20 0.45
PDE4D Q08499 1/20 0.45
PRKDC P78527 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL26650487 0.81 GRM4 (0.43) PIK3CDPIK3CAPIK3CGMTORPDE4D
SCHEMBL11275047 0.78 NCF1 (0.58) PIK3CDCYP1A2CYP2C9NCF1POLB
SCHEMBL29445436 0.73 CYP1A2 (0.56) PIK3CDPIK3CAPIK3CGMTORCYP1A2
SCHEMBL1551043 0.73 CYP1A2 (0.56) PIK3CDPIK3CAPIK3CGMTORCYP1A2
Tert-Butyl Formate SCHEMBL27585349 0.71 HTR2C (0.43) PIK3CDNCF1
SCHEMBL3239336 0.71 PIK3CA (0.52) PIK3CDPIK3CAPIK3CGMTORCYP1A2
SCHEMBL27272553 0.71 PIK3CA (0.62) PIK3CDPIK3CAPIK3CGMTORPOLB
SCHEMBL2276716 0.71 PIK3CA (0.62) PIK3CDPIK3CAPIK3CGMTORPOLB
SCHEMBL25724448 0.71 PIK3CA (0.62) PIK3CDPIK3CAPIK3CGMTORPOLB
SCHEMBL25277910 0.71 PIK3CD (0.61) PIK3CDPIK3CAPIK3CGMTOR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62030780-A None JP disclosed
EP-0198456-B1 1,7-NAPHTHYRIDINE DERIVATIVES AND MEDICINAL PREPARATIONS CONTAINING SAME SS PHARMACEUTICAL CO., LTD. (JP) 1992-06-10 EP disclosed
US-4690924-A ANTICHOLINERGIC, ANTIINFLAMMATORY; HYPOTENSIVE AND BRONCHODILATOR AGENTS; ANALGESICS; DIURETICS SS PHARMACEUTICAL CO., LTD. (JP) 1987-09-01 US disclosed
US-4659710-A 1,7-Naphthyridine derivatives and pharmaceutical compositions SS PHARMACEUTICAL CO., LTD. (JP) 1987-04-21 US disclosed
JP-S6230780-A NAPHTHYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAID DERIVATIVE SS PHARMACEUT CO LTD 1987-02-09 JP disclosed
EP-0198456-A2 1,7-Naphthyridine derivatives and medicinal preparations containing same SS PHARMACEUTICAL CO., LTD. (JP) 1986-10-22 EP disclosed