SCHEMBL7922293

SCHEMBL7922293

COc1ccccc1-c1cc(=O)c2cccnc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.61
CDK1 P06493 1/20 0.61
CCNB1 P14635 1/20 0.61
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
CCNB3 Q8WWL7 1/20 0.61
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
CHUK O15111 1/20 0.55
INSR P06213 1/20 0.55
MAPK8 P45983 1/20 0.55
CAMKK2 Q96RR4 1/20 0.55
MPO P05164 1/20 0.49
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7920464 0.82 CCNB2 (0.52) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL27889519 0.81 CCNB2 (0.68) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7921842 0.81 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL7925077 0.80 ADORA2A (0.65) GSK3BCDK5CDK5R1ADORA2AADORA1
SCHEMBL31238215 0.80 ADORA2A (0.65) GSK3BCDK5CDK5R1ADORA2AADORA1
SCHEMBL7920467 0.80 CCNB2 (0.59) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL26847033 0.79 HPGD (0.63) MPOKDM4EMEN1ALDH1A1MAPT
SCHEMBL30472919 0.77 ADORA2A (0.70) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7913613 0.77 ADORA2A (0.70) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL29913107 0.76 GSK3B (1.00) CCNB2CDK1CCNB1GSK3AGSK3B

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