SCHEMBL7464672

SCHEMBL7464672

c1cncc(-c2ccnc(Nc3ccc(-n4ccnc4)cc3)n2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.79
BCR P11274 9/20 0.79
PRKCA P17252 8/20 0.79
PRKCD Q05655 5/20 0.79
SRC P12931 5/20 0.79
PDGFRB P09619 2/20 0.79
PDGFRA P16234 2/20 0.79
ACVR1 Q04771 1/20 0.67
EGFR P00533 4/20 0.66
IKBKB O14920 1/20 0.58
PRKACA P17612 1/20 0.55
PRKACG P22612 1/20 0.55
PRKACB P22694 1/20 0.55
MAPK10 P53779 2/20 0.55
PRKD3 O94806 1/20 0.52
PRKCG P05129 1/20 0.52
PRKCB P05771 1/20 0.52
LCK P06239 1/20 0.52
PRKCH P24723 1/20 0.52
PRKCI P41743 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
SCHEMBL6256104 0.89 ABL1 (1.00) ABL1BCRPRKCAPRKCDSRC
SCHEMBL7462511 0.86 IKBKB (0.64) ABL1BCRPRKCAPRKCDSRC
SCHEMBL14319833 0.84 ABL1 (0.60) ABL1BCRPRKCAPRKCDSRC
SCHEMBL4902560 0.83 ABL1 (0.72) ABL1BCRPRKCAPRKCDSRC
SCHEMBL4903199 0.83 IKBKB (0.64) ABL1BCRPRKCAPRKCDSRC
SCHEMBL7535971 0.81 ABL1 (0.55) ABL1BCRPRKCAPRKCDSRC
SCHEMBL21526357 0.81 ACVR1 (1.00) ACVR1
SCHEMBL3756287 0.81 MAPK8 (0.69) ABL1BCRPRKCAPRKCDSRC
SCHEMBL4899264 0.81 JAK2 (0.66) ABL1BCRPRKCAPRKCDSRC
SCHEMBL6262145 0.80 ABL1 (1.00) ABL1BCRPRKCAPRKCDSRC

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 claimed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP claimed
US-4788195-A TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1988-11-29 US claimed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 EP claimed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed