SCHEMBL9534747

SCHEMBL9534747

Cn1c(=O)c2c(N)nccc2n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
LRRK2 Q5S007 1/20 0.40
PABPC1 P11940 2/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38
DPP4 P27487 3/20 0.38
ATAD2 Q6PL18 2/20 0.38

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
SCHEMBL9535754 0.79 PDE1A (0.56) ADORA1ALDH1A1LMNATSHRPDE4A
SCHEMBL9534851 0.79 RXFP1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9534736 0.79 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGCASP7
SCHEMBL9535004 0.79 PIK3CG (0.40) PIK3CDPIK3CAPIK3CBPIK3CGADORA2A
SCHEMBL21911024 0.79 ADORA2A (0.42) PIK3CDPIK3CAPIK3CBPIK3CGADORA2A
SCHEMBL9972910 0.77 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGCASP7
SCHEMBL9972896 0.77 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGCASP7
SCHEMBL9535041 0.77 KDM4E (0.43) PIK3CDPIK3CAPIK3CBPIK3CGCASP7
SCHEMBL9534801 0.76 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9535691 0.73 ALDH1A1 (0.45) ADORA2AADORA2BALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244352-B1 Pyrido[4,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP claimed
US-4808618-A ANTIALLERGENS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-02-28 US claimed
EP-0244352-B1 Pyrido[4,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed
US-4808618-A ANTIALLERGENS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-02-28 US disclosed
EP-0244352-A2 Pyrido[4,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1987-11-04 EP disclosed