SCHEMBL20040939

SCHEMBL20040939

C=C(Nc1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(C)(F)F)c3)c2)ncn1)C1CC1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 20/20 0.86
▸ BRAF P15056 6/20 0.69

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
SCHEMBL16904593 0.93 KDR (1.00) KDRBRAF
SCHEMBL16904578 0.86 KDR (1.00) KDRBRAF
SCHEMBL16904590 0.83 KDR (1.00) KDRBRAF
SCHEMBL16904589 0.83 KDR (1.00) KDRBRAF
SCHEMBL16907444 0.82 KDR (1.00) KDRBRAF
SCHEMBL16907509 0.82 KDR (1.00) KDRBRAF
SCHEMBL20040907 0.81 KDR (0.90) KDRBRAF
SCHEMBL16907541 0.79 KDR (1.00) KDRBRAF
SCHEMBL16907547 0.79 KDR (1.00) KDRBRAF
SCHEMBL16904594 0.78 KDR (1.00) KDRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 — — EP disclosed
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