SCHEMBL4412243

SCHEMBL4412243

Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 15/20 0.67
▸ ABL1 P00519 10/20 0.67
▸ BCR P11274 7/20 0.67
▸ PDGFRB P09619 6/20 0.67
▸ PRKCA P17252 3/20 0.67
▸ EGFR P00533 2/20 0.67
▸ KIT P10721 6/20 0.66
▸ KDR P35968 1/20 0.62
▸ JAK3 P52333 1/20 0.62
▸ BTK Q06187 1/20 0.62
▸ ITK Q08881 1/20 0.62

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
SCHEMBL13492307 0.85 PDGFRA (0.69) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL14217737 0.85 PDGFRA (0.69) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL13492330 0.85 PDGFRA (0.69) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL13492337 0.85 ABL1 (0.74) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL13492360 0.84 ABL1 (0.75) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL13492323 0.83 PDGFRA (0.76) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL13492344 0.82 ABL1 (0.73) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL3967060 0.82 PDGFRA (0.66) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL2004455 0.81 PDGFRA (0.91) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL23246300 0.81 ABL1 (0.86) PDGFRAABL1BCRPDGFRBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079729-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-07-22 — — EP disclosed
WO-2008058037-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-15 — — WO disclosed
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