SCHEMBL7470447

SCHEMBL7470447

CC(=O)Nc1ccc(Nc2nccc(-c3ccncc3)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.79
JAK3 P52333 1/20 0.79
HDAC6 Q9UBN7 6/20 0.64
HDAC1 Q13547 5/20 0.64
PLK1 P53350 1/20 0.63
CAMK2D Q13557 1/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
PRNP P04156 1/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.62
KMT2A Q03164 1/20 0.62
IKBKB O14920 2/20 0.61
BRAF P15056 1/20 0.60
CHUK O15111 1/20 0.59
ABL1 P00519 1/20 0.58
PDGFRB P09619 1/20 0.58
BCR P11274 1/20 0.58
PDGFRA P16234 1/20 0.58

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
SCHEMBL4378143 0.93 JAK2 (0.90) JAK2JAK3HDAC6HDAC1PLK1
SCHEMBL13588599 0.88 JAK2 (0.81) JAK2JAK3HDAC6HDAC1PLK1
SCHEMBL4383820 0.88 JAK2 (1.00) JAK2JAK3HDAC6HDAC1PLK1
SCHEMBL7475764 0.87 JAK2 (0.71) JAK2JAK3HDAC6HDAC1PLK1
SCHEMBL4388808 0.87 JAK2 (0.79) JAK2JAK3HDAC6HDAC1PLK1
SCHEMBL7465651 0.87 ABL1 (0.76) JAK2JAK3HDAC1PLK1IKBKB
SCHEMBL4376505 0.87 JAK2 (0.79) JAK2JAK3HDAC6HDAC1PLK1
SCHEMBL4382442 0.85 JAK2 (0.65) JAK2JAK3HDAC6HDAC1PLK1
SCHEMBL4380673 0.85 JAK2 (0.76) JAK2JAK3HDAC6HDAC1PLK1
SCHEMBL4385401 0.85 JAK2 (0.76) JAK2JAK3HDAC6HDAC1KDM4E

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