SCHEMBL4565613

SCHEMBL4565613

CNc1nc(C)c(CC=O)s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 3/20 0.35
EGFR P00533 3/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
JUN P05412 2/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
HSD11B1 P28845 1/20 0.32
GFER P55789 1/20 0.30

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
SCHEMBL27929246 0.82 KMT2A (0.41) KMT2AL3MBTL1ALDH1A1JAK2EGFR
SCHEMBL6157156 0.82 SHMT2 (0.35) KMT2AL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4435329 0.76 SLC6A3 (0.39) ALDH1A1
SCHEMBL289402 0.75 CYP1A2 (0.31)
SCHEMBL27815708 0.75 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1JAK2EGFR
SCHEMBL13444799 0.75 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1JAK2EGFR
SCHEMBL13802271 0.73
SCHEMBL2489354 0.73 HRH2 (0.55) ALDH1A1SMN1; SMN2
SCHEMBL8480291 0.73 ALDH1A1 (0.41) KMT2AALDH1A1TSHR
SCHEMBL27929245 0.71 ITGB3 (0.44) KMT2AL3MBTL1ALDH1A1JAK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012162468-A1 THIAZOL DERIVATIVES AS PRO -MATRIX METALLOPROTEINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
WO-2009118567-A2 PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS THE UNIVERSITY OF NOTTINGHAM (GB) 2009-10-01 WO disclosed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP disclosed
EP-1567522-A1 PYRIMIDINE COMPOUNDS Cyclacel Limited (GB) 2005-08-31 EP disclosed
WO-2005052147-A2 METHOD OF SCREENING FOR A MODULATOR OF CDK4 CYCLACEL LIMITED (GB) 2005-06-09 WO disclosed
EP-1430051-A1 N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS Cyclacel Limited (GB) 2004-06-23 EP disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed
WO-2003029248-A1 N-(4-(4-METHYLTHIAZOL-5-YL) PYRIMIDIN-2-YL) -N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS CYCLACEL LIMITED (GB) 2003-04-10 WO disclosed