SCHEMBL7469727

SCHEMBL7469727

CCN(CC)CCNC(=O)c1ccc(Nc2nccc(-c3cccnc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.59
CCNT1 O60563 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK9 P50750 1/20 0.59
CCNA1 P78396 1/20 0.59
JAK2 O60674 1/20 0.58
JAK3 P52333 1/20 0.58
ABL1 P00519 8/20 0.57
BCR P11274 5/20 0.57
HDAC1 Q13547 1/20 0.57
EGFR P00533 2/20 0.57
SRC P12931 2/20 0.57
CDK4 P11802 1/20 0.57
GSK3B P49841 1/20 0.57
CDC7 O00311 1/20 0.55
CDK19 Q9BWU1 1/20 0.55
PDGFRA P16234 4/20 0.55
PDGFRB P09619 2/20 0.55
BRAF P15056 1/20 0.54
KIT P10721 2/20 0.54

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
Hydrochloric Acid SCHEMBL15966728 0.85 IGF1R (0.53) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL4467313 0.82 CDK2 (0.83) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL14021608 0.82 JAK2 (0.67) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL22686468 0.81 ABL1 (0.58) ABL1BCREGFRSRCPDGFRA
SCHEMBL7474316 0.81 HDAC1 (0.68) CDK2ABL1BCRHDAC1EGFR
SCHEMBL12423138 0.81 IKBKB (0.59) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL14021247 0.81 JAK2 (0.66) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL7474933 0.80 ABL1 (0.68) JAK2JAK3ABL1BCREGFR
SCHEMBL16332645 0.80 IGF1R (0.45) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL7467179 0.79 ABL1 (0.69) CDK2CCNT1CCNA2CDK9ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1703405-A Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-11-30 CN claimed
CN-100436427-C Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2008-11-26 CN disclosed
CN-1703405-A Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-11-30 CN disclosed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP 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