SCHEMBL9534801

SCHEMBL9534801

Cn1c(=O)c2c(NO)nccc2n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TAS2R14 Q9NYV8 2/20 0.36
BCL6 P41182 1/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
BRPF1 P55201 1/20 0.34

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
SCHEMBL9535041 0.86 KDM4E (0.43) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9535004 0.84 PIK3CG (0.40) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9534796 0.82 LRRK2 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9535072 0.82 UTS2R (0.47) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9537419 0.81 UTS2R (0.44) ALDH1A1MAPTLMNAHPGDUTS2R
SCHEMBL9534736 0.79 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9533783 0.76 CYP2D6 (0.48) HSD17B10UTS2RPOLB
SCHEMBL9972896 0.76 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9534747 0.76 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9534851 0.76 RXFP1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1

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 3 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 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