SCHEMBL7913601

SCHEMBL7913601

Cc1cnc2[nH]c(-c3ccsc3)cc(=O)c2c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
GSK3B P49841 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
CYP2A6 P11509 1/20 0.45
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 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
SCHEMBL7921785 0.82 HPGD (0.59)
SCHEMBL16213598 0.81 ADORA2A (0.62)
SCHEMBL7922283 0.78 ADORA2A (0.61)
SCHEMBL7921815 0.78
SCHEMBL7913591 0.78 MEN1 (0.53)
SCHEMBL7925184 0.78 KIT (0.46)
SCHEMBL7922309 0.77
SCHEMBL7922300 0.76 KDM4E (0.62)
SCHEMBL7920136 0.76 IMPDH2 (0.44) IMPDH2
SCHEMBL7920410 0.76 CCNB2 (0.48) CCNB2CDK1CCNB1GSK3BCDK5

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-6229016-B1 PYRIDOPYRIMIDINE DERIVATIVES AS CHEMICAL INTERMEDIATES; POLYMERIZATION INHIBITION OF TUBULIN THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-05-08 US disclosed
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
EP-0971921-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS The University of North Carolina at Chapel Hill (US) 2000-01-19 EP disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed
WO-1998039332-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-11 WO disclosed