SCHEMBL4787314

SCHEMBL4787314

Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 17/20 0.85
▸ EGFR P00533 15/20 0.85
▸ ABL1 P00519 2/20 0.64
▸ BCR P11274 1/20 0.59

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
SCHEMBL4788543 0.97 BRAF (0.80) BRAFEGFRABL1BCR
SCHEMBL4788539 0.93 BRAF (0.74) BRAFEGFRABL1BCR
SCHEMBL4788703 0.92 BRAF (0.89) BRAFEGFRABL1
SCHEMBL4786842 0.92 BRAF (1.00) BRAFEGFRABL1
SCHEMBL4788876 0.86 ATM (0.67) BRAFEGFRABL1
SCHEMBL4789778 0.83 EGFR (0.88) BRAFEGFR
SCHEMBL13878777 0.81 BRAF (0.66) BRAFEGFR
SCHEMBL13708183 0.81 BRAF (0.67) BRAFEGFRABL1BCR
SCHEMBL13878776 0.79 BRAF (0.67) BRAFEGFR
SCHEMBL2289051 0.79 BRAF (0.77) BRAFEGFRABL1BCR

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
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO disclosed
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