SCHEMBL7470899

SCHEMBL7470899

CN(C)CCCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.67
BCR P11274 8/20 0.67
IKBKB O14920 1/20 0.61
PRKCA P17252 5/20 0.59
PRKCD Q05655 4/20 0.59
EGFR P00533 3/20 0.59
NR4A1 P22736 2/20 0.56
SRC P12931 3/20 0.54
KIT P10721 1/20 0.53
PRKD3 O94806 1/20 0.53
PRKCG P05129 1/20 0.53
PRKCB P05771 1/20 0.53
LCK P06239 1/20 0.53
PRKCH P24723 1/20 0.53
PRKCI P41743 1/20 0.53
ZAP70 P43403 1/20 0.53
PRKCE Q02156 1/20 0.53
PRKCQ Q04759 1/20 0.53
PRKCZ Q05513 1/20 0.53
PRKD1 Q15139 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
SCHEMBL7472256 0.94 IKBKB (0.68) ABL1BCRIKBKBPRKCAPRKCD
SCHEMBL7471337 0.88 IKBKB (0.64) ABL1BCRIKBKBJAK2JAK3
SCHEMBL7474933 0.86 ABL1 (0.68) ABL1BCRIKBKBPRKCAPRKCD
SCHEMBL7467416 0.85 ABL1 (0.57) ABL1BCRIKBKBPRKCAPRKCD
SCHEMBL7463838 0.85 ABL1 (0.57) ABL1BCRIKBKBPRKCAPRKCD
SCHEMBL7476936 0.82 IKBKB (0.72) ABL1BCRIKBKBJAK2JAK3
SCHEMBL7466239 0.81 ACVR1 (0.72) ABL1BCRIKBKBPRKCAPRKCD
SCHEMBL7468367 0.79 ABL1 (0.71) ABL1BCRIKBKBPRKCAPRKCD
SCHEMBL7467881 0.79 ABL1 (0.63) ABL1BCRIKBKBPRKCAPRKCD
SCHEMBL14487911 0.78 ABL1 (0.75) ABL1BCRPRKCAEGFRKIT

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