SCHEMBL20040912

SCHEMBL20040912

Cc1cc(NC(=O)Nc2cc(F)cc(C(F)(F)F)c2)cc(Oc2cc(C)ncn2)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 20/20 0.74
▸ MAPK14 Q16539 7/20 0.60
▸ TNNI3K Q59H18 7/20 0.60
▸ BRAF P15056 6/20 0.60

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
SCHEMBL16904584 0.85 KDR (1.00) KDRBRAF
SCHEMBL20040931 0.78 KDR (0.64) KDRMAPK14TNNI3KBRAF
SCHEMBL16904586 0.77 KDR (1.00) KDRBRAF
SCHEMBL16904585 0.73 KDR (1.00) KDRMAPK14TNNI3KBRAF
SCHEMBL20040928 0.72 KDR (0.68) KDRBRAF
SCHEMBL16907545 0.72 KDR (1.00) KDRBRAF
SCHEMBL14014127 0.71 MTOR (0.57) KDRBRAF
SCHEMBL19398200 0.69 PSEN1 (0.56) KDRBRAF
SCHEMBL16904583 0.69 KDR (1.00) KDRBRAF
SCHEMBL12513194 0.66 MAPT (0.83) —

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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