SCHEMBL6262145

SCHEMBL6262145

c1ccc(Nc2nccc(-c3cccnc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 1.00
PRKCA P17252 10/20 1.00
PRKCD Q05655 7/20 1.00
EGFR P00533 3/20 1.00
BCR P11274 12/20 0.71
SRC P12931 9/20 0.71
PRKACA P17612 1/20 0.71
PRKACG P22612 1/20 0.71
PRKACB P22694 1/20 0.71
PDGFRB P09619 3/20 0.67
PDGFRA P16234 3/20 0.67
PRKD3 O94806 2/20 0.67
PRKCG P05129 2/20 0.67
PRKCB P05771 2/20 0.67
PRKCH P24723 2/20 0.67
PRKCI P41743 2/20 0.67
PRKCE Q02156 2/20 0.67
PRKCQ Q04759 2/20 0.67
PRKCZ Q05513 2/20 0.67
PRKD1 Q15139 2/20 0.67

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
Phosphoric Acid SCHEMBL7471510 0.93 ABL1 (0.86) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL29618427 0.92 ABL1 (0.85) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL1593016 0.89 PRKCD (0.79) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL16932355 0.87 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7461475 0.87 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7464205 0.87 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL3868291 0.87 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7476133 0.87 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL210190 0.86 ABL1 (0.76) ABL1PRKCAPRKCDEGFRBCR
Hydrochloric Acid SCHEMBL7470853 0.85 ABL1 (0.74) ABL1PRKCAPRKCDEGFRBCR

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
WO-2013120852-A1 INTERMEDIATES FOR A NOVEL PROCESS OF PREPARING IMATINIB AND RELATED TYROSINE KINASE INHIBITORS GRINDEKS, A JOINT STOCK COMPANY (LV) 2013-08-22 WO disclosed
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 disclosed
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