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SCHEMBL20018006

SCHEMBL20018006

Cc1cccc(Nc2nc(NC(C)C)nc(-c3cccc(Cl)n3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.71
▸ KCNH3 Q9ULD8 5/20 0.65
▸ IDH1 O75874 11/20 0.54
▸ IDH2 P48735 9/20 0.54
▸ NFKB1 P19838 1/20 0.52
▸ TSHR P16473 1/20 0.48

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
SCHEMBL15102366 0.88 KCNH3 (0.66) POLBKCNH3IDH1IDH2
SCHEMBL29560995 0.88 KCNH3 (0.66) POLBKCNH3IDH1IDH2
SCHEMBL15102422 0.85 IDH1 (0.62) POLBIDH1IDH2
SCHEMBL16393101 0.84 IDH1 (0.71) IDH1IDH2
SCHEMBL29763331 0.84 RHOA (0.56) POLBKCNH3IDH1IDH2
SCHEMBL15094676 0.84 RHOA (0.56) POLBKCNH3IDH1IDH2
SCHEMBL15102514 0.83 IDH1 (0.57) POLBKCNH3IDH1IDH2
SCHEMBL15102285 0.83 IDH1 (0.53) POLBKCNH3IDH1IDH2
SCHEMBL29561084 0.83 IDH1 (0.53) POLBKCNH3IDH1IDH2
SCHEMBL15094853 0.82 KCNH3 (0.49) POLBKCNH3IDH1IDH2TSHR

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-3984997-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Les Laboratoires Servier SAS (FR) 2022-04-20 — — EP disclosed
EP-2800743-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-04-04 — — EP disclosed
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