SCHEMBL7461995

SCHEMBL7461995

CC(=O)Nc1ccc(Nc2nccc(-c3ccccn3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.73
JAK3 P52333 1/20 0.73
PLK1 P53350 1/20 0.59
SYK P43405 7/20 0.58
IKBKB O14920 1/20 0.57
AURKA O14965 1/20 0.57
KIT P10721 1/20 0.54
FLT3 P36888 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
GPR39 O43194 1/20 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
SCHEMBL7470116 0.89 JAK2 (0.68) JAK2JAK3PLK1SYKAURKA
SCHEMBL4901743 0.85 JAK2 (0.54) JAK2JAK3SYKIKBKBKIT
SCHEMBL4383820 0.84 JAK2 (1.00) JAK2JAK3PLK1IKBKBHDAC1
SCHEMBL4378143 0.83 JAK2 (0.90) JAK2JAK3PLK1IKBKBHDAC1
SCHEMBL4903298 0.83 ABL1 (0.59) JAK2JAK3SYKAURKA
SCHEMBL4899630 0.82 ABL1 (0.64) JAK2HDAC1
SCHEMBL4903032 0.82 MAPK8 (0.74) JAK2SYKIKBKBAURKA
SCHEMBL7470857 0.81 ABL1 (0.63) JAK2JAK3SYKIKBKBAURKA
SCHEMBL4899326 0.81 PDGFRB (0.56) JAK2SYKAURKAHDAC1
SCHEMBL7465651 0.81 ABL1 (0.76) JAK2JAK3PLK1IKBKBAURKA

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