SCHEMBL7472256

SCHEMBL7472256

CN(C)CCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.68
ABL1 P00519 9/20 0.67
BCR P11274 8/20 0.67
PRKCA P17252 5/20 0.60
PRKCD Q05655 4/20 0.60
EGFR P00533 3/20 0.60
KIT P10721 1/20 0.58
SRC P12931 3/20 0.55
PRKD3 O94806 1/20 0.54
PRKCG P05129 1/20 0.54
PRKCB P05771 1/20 0.54
LCK P06239 1/20 0.54
PRKCH P24723 1/20 0.54
PRKCI P41743 1/20 0.54
ZAP70 P43403 1/20 0.54
PRKCE Q02156 1/20 0.54
PRKCQ Q04759 1/20 0.54
PRKCZ Q05513 1/20 0.54
PRKD1 Q15139 1/20 0.54
ACVR1 Q04771 1/20 0.53

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
SCHEMBL7470899 0.94 ABL1 (0.67) IKBKBABL1BCRPRKCAPRKCD
SCHEMBL7474933 0.89 ABL1 (0.68) IKBKBABL1BCRPRKCAPRKCD
SCHEMBL7467416 0.88 ABL1 (0.57) IKBKBABL1BCRPRKCAPRKCD
SCHEMBL7463838 0.88 ABL1 (0.57) IKBKBABL1BCRPRKCAPRKCD
SCHEMBL7476936 0.87 IKBKB (0.72) IKBKBABL1BCRCDK4CCND1
SCHEMBL14487911 0.83 ABL1 (0.75) ABL1BCRPRKCAEGFRKIT
SCHEMBL7466239 0.82 ACVR1 (0.72) IKBKBABL1BCRPRKCAPRKCD
SCHEMBL12275887 0.82 IKBKB (0.60) IKBKBABL1BCRKITPLK1
SCHEMBL7471337 0.82 IKBKB (0.64) IKBKBABL1BCR
SCHEMBL10346859 0.81 IKBKB (0.63) IKBKBABL1BCRCDK4CCND1

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
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