SCHEMBL2666285

SCHEMBL2666285

Cc1ccnc(-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 3/20 0.61
POLB P06746 2/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 3/20 0.60
CLK4 Q9HAZ1 16/20 0.58
DYRK1A Q13627 9/20 0.58
CYP1A2 P05177 5/20 0.56
CYP3A4 P08684 5/20 0.56
CYP2D6 P10635 5/20 0.56
CYP2C19 P33261 5/20 0.56
MAPK1 P28482 4/20 0.56
USP2 O75604 3/20 0.56
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TSHR P16473 3/20 0.54

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
SCHEMBL10187280 0.81 MEN1 (0.61) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL12864670 0.77 ALDH1A1 (0.58) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL31494372 0.76 SMN1; SMN2 (0.49) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL25440335 0.73 KDM4E (0.55) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL31186653 0.73 CYP1A1 (0.46) MEN1KMT2ACLK4CYP1A2CYP3A4
SCHEMBL15849494 0.73 TGFBR1 (0.62) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL30030511 0.73 KDM4E (0.66) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL10165327 0.72 ALDH1A1 (0.53) KMT2AKDM4EPOLBMAPTSMN1; SMN2
SCHEMBL3592778 0.72 MAPT (0.50) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL7614422 0.71 CLK4 (0.49) MEN1KMT2AKDM4EPOLBMAPT

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-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 WO disclosed