SCHEMBL7474933

SCHEMBL7474933

CCN(CC)CCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.68
BCR P11274 7/20 0.68
PRKCA P17252 4/20 0.58
PRKCD Q05655 3/20 0.58
EGFR P00533 2/20 0.58
JAK2 O60674 1/20 0.57
JAK3 P52333 1/20 0.57
SRC P12931 2/20 0.56
IKBKB O14920 1/20 0.55
ACVR1 Q04771 4/20 0.54
RIPK2 O43353 3/20 0.54
NOD2 Q9HC29 3/20 0.54
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
CCND2 P30279 2/20 0.53
CCND3 P30281 2/20 0.53
PRKD3 O94806 1/20 0.52
PRKCG P05129 1/20 0.52
PRKCB P05771 1/20 0.52
LCK P06239 1/20 0.52

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 0.89 IKBKB (0.68) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL7464616 0.89 ABL1 (0.68) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL7467622 0.88 JAK2 (0.59) ABL1BCRJAK2JAK3SRC
Hydrochloric Acid SCHEMBL8547700 0.87 JAK2 (0.58) ABL1BCRJAK2JAK3SRC
SCHEMBL7467416 0.86 ABL1 (0.57) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL7463838 0.86 ABL1 (0.57) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL7470899 0.86 ABL1 (0.67) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL7466239 0.81 ACVR1 (0.72) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL7469727 0.80 CDK2 (0.59) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL7475710 0.78 ABL1 (0.71) ABL1BCRPRKCAPRKCDEGFR

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 4 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