SCHEMBL9533783

SCHEMBL9533783

CN(C)CCNc1nccc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
KAT2B Q92831 6/20 0.47
ATAD2 Q6PL18 2/20 0.44
UTS2R Q9UKP6 1/20 0.43
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
BRD4 O60885 1/20 0.38
BPTF Q12830 1/20 0.38
ELANE P08246 1/20 0.38
CYP2C19 P33261 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9537419 0.84 UTS2R (0.44) UTS2RMAPK1POLB
SCHEMBL9535072 0.82 UTS2R (0.47) CYP2D6UTS2RMAPK1L3MBTL1HSD17B10
SCHEMBL9535041 0.78 KDM4E (0.43) UTS2RHSD17B10
SCHEMBL9535004 0.76 PIK3CG (0.40) UTS2RHSD17B10
SCHEMBL9534801 0.76 PIK3CD (0.40) UTS2RHSD17B10POLB
SCHEMBL9534796 0.74 LRRK2 (0.42) MAPK1BRD4POLB
SCHEMBL11102405 0.70 UTS2R (0.44) CYP2D6KAT2BATAD2UTS2RHRH3
SCHEMBL9972896 0.69 PIK3CD (0.41) HSD17B10
SCHEMBL9534736 0.68 PIK3CD (0.43) L3MBTL1HSD17B10
SCHEMBL9534851 0.68 RXFP1 (0.49) HSD17B10POLB

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