SCHEMBL2632667

SCHEMBL2632667

CCC(C)c1nccc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
AURKA O14965 1/20 0.47
HSP90AA1 P07900 1/20 0.47
PRKACA P17612 1/20 0.47
SORD Q00796 2/20 0.44
DUSP10 Q9Y6W6 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
ADORA1 P30542 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F11 P03951 1/20 0.37
SREBF2 Q12772 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
IDH1 O75874 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2625467 0.82 AURKA (0.53) ADORA2AAURKAHSP90AA1PRKACASORD
SCHEMBL12386863 0.73 ASIC3 (0.47) KMT2ARAB9AADORA1KDM4EMAPT
SCHEMBL21969502 0.73 SORD (0.38) SORDKMT2ARAB9AKDM4EMAPT
SCHEMBL25888171 0.72 SORD (0.38) SORDRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL22655921 0.72 TAAR1 (0.36) SORD
SCHEMBL10272516 0.72 AURKA (0.53) ADORA2AAURKAHSP90AA1PRKACADUSP10
SCHEMBL22681512 0.72 SORD (0.33) SORD
SCHEMBL13053048 0.72 L3MBTL1 (0.50) ADORA2AMEN1KMT2ARAB9AADORA1
SCHEMBL13062429 0.72 SORD (0.33) SORD
SCHEMBL13663803 0.71 TSHR (0.38) MEN1KMT2ARAB9AL3MBTL1NPC1

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
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed