SCHEMBL22201750

SCHEMBL22201750

CCCc1ccc(CNc2nccc(N3CCOC3=O)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 18/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ OGA O60502 1/20 0.42

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
SCHEMBL19191699 0.86 IDH1 (0.59) IDH1MKNK1MKNK2OGA
SCHEMBL19700706 0.81 IDH1 (0.54) IDH1
SCHEMBL19191680 0.81 IDH1 (0.58) IDH1MKNK1MKNK2OGA
SCHEMBL22201749 0.80 IDH1 (0.58) IDH1
SCHEMBL22604190 0.77 IDH1 (0.52) IDH1MKNK1MKNK2OGA
SCHEMBL19701256 0.76 IDH1 (0.57) IDH1
SCHEMBL22201753 0.76 IDH1 (0.81) IDH1
SCHEMBL19700736 0.76 ACHE (0.47) IDH1
SCHEMBL19191723 0.74 IDH1 (0.67) IDH1
SCHEMBL19191933 0.74 IDH1 (0.55) IDH1

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-3464281-B1 MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2020-07-08 — — EP disclosed
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