SCHEMBL1662

SCHEMBL1662

[O-][n+]1ccc(-c2ccnc(Nc3cccc(OC(F)(F)C(F)F)c3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.77
BCR P11274 6/20 0.77
PRKCA P17252 5/20 0.77
CSNK2A1 P68400 1/20 0.61
SRC P12931 3/20 0.59
EGFR P00533 2/20 0.59
PRKACA P17612 2/20 0.59
PRKACG P22612 2/20 0.59
PRKACB P22694 2/20 0.59
PRKCD Q05655 2/20 0.59
PIK3CG P48736 4/20 0.53
PIK3CA P42336 3/20 0.53
PIK3CB P42338 3/20 0.53
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
CDK2 P24941 2/20 0.46
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
FGFR1 P11362 1/20 0.46

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
SCHEMBL1269 0.87 ABL1 (1.00) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837820 0.85 PRKCA (1.00) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837875 0.84 ABL1 (0.78) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8966527 0.84 ABL1 (0.77) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837795 0.83 ABL1 (0.80) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL1255 0.83 ABL1 (0.80) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837778 0.83 ABL1 (0.77) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8489646 0.83 PIK3CG (0.76) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837903 0.82 PRKCA (0.83) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837807 0.82 PRKCA (0.79) ABL1BCRPRKCACSNK2A1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 US claimed
EP-0672040-A1 FURTHER PYRIMIDINE DERIVATIVES AND THEIR PREPARATION Novartis AG (CH) 1995-09-20 EP claimed
WO-1995009852-A1 FURTHER PYRIMIDINE DERIVATIVES AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1995-04-13 WO claimed
US-20050203612-A1 Luminal prostheses which allow for programmed and controlled delivery of mycophenolic acid or derivatives with increased efficacy to selected locations within a patient's vasculature to inhibit restenosis and hyperplasia AVANTEC VASCULAR CORPORATION (US) 2005-09-15 US disclosed
US-20050125054-A1 Devices delivering therapeutic agents and methods regarding the same AVANTEC VASCULAR CORPORATION (US) 2005-06-09 US disclosed
US-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed
EP-0672035-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009847-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed