SCHEMBL7464657

SCHEMBL7464657

O=C(O)c1ccc(Nc2nccc(-c3ccncc3)n2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 6/20 0.90
MAPK8 P45983 3/20 0.66
MAPK10 P53779 1/20 0.66
GSK3B P49841 3/20 0.64
PIK3CG P48736 2/20 0.64
CAMKK2 Q96RR4 2/20 0.64
AURKA O14965 3/20 0.63
GSK3A P49840 1/20 0.59
AURKB Q96GD4 1/20 0.59
JAK2 O60674 1/20 0.57
JAK3 P52333 1/20 0.57
ABL1 P00519 3/20 0.57
PRKCA P17252 2/20 0.57
BCR P11274 2/20 0.57
IKBKB O14920 1/20 0.57
CHUK O15111 1/20 0.57
IKBKG Q9Y6K9 1/20 0.57
CDK4 P11802 1/20 0.55
CDK2 P24941 1/20 0.55
EGFR P00533 1/20 0.55

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
SCHEMBL4903457 0.88 MAPK8 (0.81) CAMK2DMAPK8MAPK10GSK3BPIK3CG
SCHEMBL4800404 0.86 MAPK8 (0.83) CAMK2DMAPK8MAPK10GSK3BPIK3CG
SCHEMBL4062045 0.86 CAMK2D (0.78) CAMK2DMAPK8MAPK10GSK3BPIK3CG
SCHEMBL210190 0.86 ABL1 (0.76) CAMK2DMAPK8MAPK10GSK3BPIK3CG
Hydrochloric Acid SCHEMBL7470853 0.85 ABL1 (0.74) CAMK2DMAPK8MAPK10GSK3BPIK3CG
SCHEMBL4902223 0.84 ABL1 (0.80) CAMK2DMAPK8GSK3BPIK3CGCAMKK2
SCHEMBL4903404 0.83 JAK2 (0.68) CAMK2DMAPK8MAPK10JAK2JAK3
SCHEMBL7470875 0.82 PLK1 (0.63) CAMK2DMAPK8MAPK10PIK3CGAURKA
SCHEMBL7470447 0.82 JAK2 (0.79) CAMK2DJAK2JAK3ABL1BCR
SCHEMBL3949136 0.82 CAMK2D (0.66) CAMK2DMAPK8MAPK10GSK3BPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP disclosed
US-4876252-A ADMINISTERING ANTIASTHMATIC OR ANTIALLERGEN AMERICAN CYANAMID COMPANY (US) 1989-10-24 US disclosed
US-4788195-A TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1988-11-29 US disclosed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 EP disclosed