SCHEMBL8686294

SCHEMBL8686294

COc1ccc(Nc2ncc(CC(=O)O)cn2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CCND2 P30279 1/20 0.48
CCND3 P30281 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PTK2 Q05397 1/20 0.47
GAA P10253 2/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SYK P43405 1/20 0.45
EGFR P00533 1/20 0.45
ITK Q08881 1/20 0.45
CA5A P35218 1/20 0.45
PLK1 P53350 1/20 0.45
FLT3 P36888 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL8686302 0.82 MAPK8 (0.57) MAPK8MAPK9CDK4CCND1CCND2
SCHEMBL8686290 0.82 ALDH1A1 (0.54) ALDH1A1GAACA5ATSHRNFKB1
SCHEMBL8682666 0.80 MAPT (0.56) MAPK8MAPK9CDK4CCND1CCND2
SCHEMBL153055 0.73 GAA (0.74) ALDH1A1GAACA5ATSHRNFKB1
SCHEMBL30049382 0.73 GAA (0.74) ALDH1A1GAACA5ATSHRNFKB1
SCHEMBL15244552 0.73 FGFR3 (0.56)
SCHEMBL14069852 0.72 MAPT (0.66) ALDH1A1GAATSHRNFKB1RAB9A
SCHEMBL27952523 0.72 GAA (0.72) ALDH1A1GAACA5ATSHRNFKB1
Hydrochloric Acid SCHEMBL2530820 0.72 GAA (0.72) ALDH1A1GAACA5ATSHRNFKB1
SCHEMBL3269159 0.71 ABCG2 (0.67) GAAEGFRFLT3JAK2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719187-A Compounds having a guanidine structure and pharmaceutical composition containing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) (FR) 1998-02-17 US disclosed
US-5480884-A Compounds having a guanidine structure CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1996-01-02 US disclosed
EP-0572635-A1 NOVEL COMPOUNDS HAVING A GUANIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME. CENTRE NAT RECH SCIENT (FR) 1993-12-08 EP disclosed
EP-0572635-A4 NOVEL COMPOUNDS HAVING A GUANIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME. CENTRE NAT RECH SCIENT (FR) 1993-09-17 EP disclosed
WO-1993010102-A1 NOVEL COMPOUNDS HAVING A GUANIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 1993-05-27 WO disclosed