SCHEMBL27841120

SCHEMBL27841120

Cc1ccc(NC(=O)c2ccccc2O)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.79
▸ PDGFRA P16234 11/20 0.79
▸ BCR P11274 9/20 0.79
▸ PDGFRB P09619 6/20 0.79
▸ PRKCA P17252 3/20 0.79
▸ EGFR P00533 2/20 0.78
▸ JAK3 P52333 1/20 0.69
▸ BTK Q06187 1/20 0.69
▸ ITK Q08881 1/20 0.69
▸ KIT P10721 4/20 0.68

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
SCHEMBL13492488 0.91 ABL1 (0.76) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL3219529 0.90 ABL1 (0.77) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL13492489 0.89 ABL1 (0.75) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL9666 0.88 PDGFRA (1.00) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL9782 0.88 PDGFRA (1.00) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL29498750 0.88 PDGFRA (1.00) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL1408817 0.88 ABL1 (0.74) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL28381450 0.88 ABL1 (0.74) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL13492322 0.87 ABL1 (0.73) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL12901730 0.87 ABL1 (0.67) ABL1PDGFRABCRPDGFRBPRKCA

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
CN-102212057-B Carboxylic acid non-steroidal anti-inflammatory agent derivative and preparation method and application thereof UNIV HEFEI TECHNOLOGY 2013-11-27 — — CN disclosed
CN-102212057-A Carboxylic acid non-steroidal anti-inflammatory agent derivative and preparation method and application thereof UNIV HEFEI TECHNOLOGY 2011-10-12 — — CN disclosed
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