SCHEMBL9535004

SCHEMBL9535004

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
BCL6 P41182 1/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
CASP7 P55210 2/20 0.35
UTS2R Q9UKP6 1/20 0.35
TSHR P16473 1/20 0.35
PABPC1 P11940 1/20 0.35
CASP3 P42574 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
ADORA2A P29274 1/20 0.34
HSD17B10 Q99714 2/20 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) PIK3CGPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL9534801 0.84 PIK3CD (0.40) PIK3CGPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL9535072 0.82 UTS2R (0.47) PIK3CGPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL9534796 0.82 LRRK2 (0.42) PIK3CGPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL9534747 0.79 PIK3CD (0.43) PIK3CGPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL9537419 0.79 UTS2R (0.44) ALDH1A1MAPTLMNAKMT2ACASP7
SCHEMBL9533783 0.76 CYP2D6 (0.48) UTS2RHSD17B10
SCHEMBL9972896 0.76 PIK3CD (0.41) PIK3CGPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL9534736 0.76 PIK3CD (0.43) PIK3CGPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL9534851 0.76 RXFP1 (0.49) PIK3CGPIK3CDPIK3CAPIK3CBALDH1A1

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