SCHEMBL9535041

SCHEMBL9535041

CNc1nccc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
BCL6 P41182 1/20 0.36
CYP3A4 P08684 1/20 0.35
ABCC1 P33527 1/20 0.35
LMNA P02545 4/20 0.35
KMT2A Q03164 2/20 0.35
UTS2R Q9UKP6 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL9535004 0.86 PIK3CG (0.40) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9534801 0.86 PIK3CD (0.40) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9534796 0.83 LRRK2 (0.42) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9535072 0.83 UTS2R (0.47) KDM4ESMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL9537419 0.80 UTS2R (0.44) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL9533783 0.78 CYP2D6 (0.48) UTS2RHSD17B10
SCHEMBL9972896 0.77 PIK3CD (0.41) KDM4ESMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL9534736 0.77 PIK3CD (0.43) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9534747 0.77 PIK3CD (0.43) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9534851 0.77 RXFP1 (0.49) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG

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