SCHEMBL5164166

SCHEMBL5164166

Cc1nc(C)c(C(=C=O)CN(C)C)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SIGLEC9 Q9Y336 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL5161599 0.87 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL5159300 0.85 NPC1 (0.30) NPC1
SCHEMBL5159025 0.84 L3MBTL1 (0.45) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6653278 0.84 KMT2A (0.32) ALDH1A1MEN1HPGDKMT2A
SCHEMBL5165104 0.83
SCHEMBL5163544 0.82 CYP1A2 (0.31)
SCHEMBL5165151 0.82 MAPK14 (0.40) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5159455 0.81 ALDH1A1 (0.36) RAB9ANPC1L3MBTL1TP53SMN1; SMN2
SCHEMBL4634697 0.79 ALDH1A1 (0.32) RAB9ANPC1L3MBTL1CNR1SMN1; SMN2
SCHEMBL5161830 0.79 KDM4E (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
EP-1648887-A1 PYRIDINYLAMINO-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 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
WO-2005012298-A1 PYRIDINYLAMINO-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 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
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP disclosed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 WO disclosed