SCHEMBL362601

SCHEMBL362601

Cc1cc2c3cccc(C)c3nc(C(C)Sc3nc(-c4ccccc4)c[nH]3)n2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.50
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE5A O76074 2/20 0.34
PDE1B Q01064 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE7B Q9NP56 1/20 0.34
PDE6D O43924 1/20 0.34
PDE6A P16499 1/20 0.34
PDE6G P18545 1/20 0.34
PDE6B P35913 1/20 0.34
PDE6C P51160 1/20 0.34
PDE6H Q13956 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL363762 0.91 PDE10A (0.51) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL364695 0.89 PDE10A (0.53) PDE10AHPGD
SCHEMBL363354 0.88 PDE10A (0.47) PDE10AKDM4EPDE5APDE1BPDE4D
SCHEMBL363269 0.84 PDE10A (0.50) PDE10AKDM4EHSD17B10MEN1RECQL
SCHEMBL361381 0.82 PDE10A (0.51) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363739 0.81 PDE10A (0.51) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363853 0.80 PDE10A (0.53) PDE10AKDM4EMEN1KMT2AALDH1A1
SCHEMBL371209 0.70 PDE10A (0.51) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363300 0.69 PDE10A (0.68) PDE10AKDM4EPDE5APDE1BPDE4D
SCHEMBL259684 0.68 PDE10A (0.46) PDE10AKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO disclosed