SCHEMBL6254782

SCHEMBL6254782

Clc1cccc(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 1.00
BCR P11274 13/20 1.00
PRKCA P17252 8/20 1.00
PRKCD Q05655 6/20 1.00
SRC P12931 8/20 0.73
EGFR P00533 3/20 0.73
PRKACA P17612 1/20 0.73
PRKACG P22612 1/20 0.73
PRKACB P22694 1/20 0.73
CAMK2D Q13557 4/20 0.71
PLK1 P53350 1/20 0.66
PDGFRB P09619 3/20 0.64
PDGFRA P16234 3/20 0.64
PRKD3 O94806 1/20 0.63
PRKCG P05129 1/20 0.63
PRKCB P05771 1/20 0.63
PRKCH P24723 1/20 0.63
PRKCI P41743 1/20 0.63
PRKCE Q02156 1/20 0.63
PRKCQ Q04759 1/20 0.63

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
SCHEMBL4899574 0.86 ABL1 (0.76) ABL1BCRPRKCAPRKCDSRC
SCHEMBL3510842 0.86 ABL1 (0.75) ABL1BCRPRKCAPRKCDSRC
SCHEMBL29618427 0.84 ABL1 (0.85) ABL1BCRPRKCAPRKCDSRC
SCHEMBL7476769 0.84 ABL1 (1.00) ABL1BCRPRKCAPRKCDSRC
SCHEMBL7461678 0.84 ABL1 (0.73) ABL1BCRPRKCAPRKCDSRC
SCHEMBL1465 0.84 ABL1 (1.00) ABL1BCRPRKCAPRKCDSRC
SCHEMBL4084867 0.84 ABL1 (0.77) ABL1BCRPRKCAPRKCDSRC
SCHEMBL6262145 0.83 ABL1 (1.00) ABL1BCRPRKCAPRKCDSRC
SCHEMBL12801709 0.83 CAMK2D (1.00) ABL1BCRPRKCAPRKCDSRC
SCHEMBL12275705 0.83 CAMK2D (0.73) ABL1BCRPRKCAPRKCDCAMK2D

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005065074-A2 PROTECTION OF TISSUES AND CELLS FROM CYTOTOXIC EFFECTS OF IONIZING RADIATION BY ABL INHIBITORS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-07-21 WO claimed
US-5516775-A TO INHIBIT PROTEIN KINASE C CIBA-GEIGY CORPORATION (US) 1996-05-14 US claimed
EP-0588762-A1 Use of pyrimidine derivatives as inhibitors of proteinkinase C and antitumor drugs CIBA-GEIGY AG (CH) 1994-03-23 EP claimed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed
US-5516775-A TO INHIBIT PROTEIN KINASE C CIBA-GEIGY CORPORATION (US) 1996-05-14 US disclosed
EP-0588762-A1 Use of pyrimidine derivatives as inhibitors of proteinkinase C and antitumor drugs CIBA-GEIGY AG (CH) 1994-03-23 EP disclosed