SCHEMBL7985002

SCHEMBL7985002

CCCn1cnc2[nH]c(-c3ccccc3)nc(=O)c21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.48
ADORA2A P29274 5/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE5A O76074 1/20 0.44
CNOT7 Q9UIV1 2/20 0.42
ADORA3 P0DMS8 3/20 0.42
ADORA1 P30542 2/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41

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
SCHEMBL7988254 0.93 ADORA2B (0.50) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL7985382 0.91 ADORA2B (0.46) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL7974067 0.90 ADORA2B (0.46) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL7988495 0.90 ADORA2B (0.46) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL7974620 0.86 CNOT7 (0.58) ADORA2BADORA2AKDM4EALDH1A1CNOT7
SCHEMBL7984244 0.84 CNOT7 (0.60) ADORA2BADORA2AKDM4EALDH1A1KMT2A
SCHEMBL7984499 0.84 ADORA2A (0.43) ADORA2BADORA2AALDH1A1CNOT7ADORA3
SCHEMBL7975271 0.83 CNOT7 (0.56) ADORA2BALDH1A1KMT2ACNOT7ADORA3
SCHEMBL7984791 0.81 SMN1; SMN2 (0.45) MEN1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7984720 0.81 CNOT7 (0.48) ADORA2BALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed