SCHEMBL20227782

SCHEMBL20227782

CN1CCN(Cc2ccc(CC(=O)Nc3cc(-c4ccc5cc(NC(=O)OC(C)(C)C)ncc5c4)n(C)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.47
▸ DYRK1A Q13627 9/20 0.43
▸ MKNK2 Q9HBH9 4/20 0.43
▸ GSK3B P49841 7/20 0.43
▸ FGFR4 P22455 3/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ WNT1 P04628 3/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.41
▸ BCR P11274 2/20 0.41
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40

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
SCHEMBL20214778 0.91 ABL1 (0.52) ABL1DYRK1AMKNK2GSK3BFGFR4
SCHEMBL21350972 0.89 ABL1 (0.42) ABL1DYRK1AMKNK2FGFR4CDK8
SCHEMBL29614814 0.88 ABL1 (0.49) ABL1DYRK1AMKNK2FGFR4CDK8
SCHEMBL19307233 0.88 ABL1 (0.49) ABL1DYRK1AMKNK2FGFR4CDK8
SCHEMBL20214661 0.83 ABL1 (0.46) ABL1MKNK2FGFR4CDK8ABL2
SCHEMBL23732874 0.81 ABL1 (0.44) ABL1MKNK2FGFR4CDK8ABL2
SCHEMBL21351228 0.81 ABL1 (0.42) ABL1MKNK2FGFR4CDK8ABL2
SCHEMBL20227767 0.80 ABL1 (0.46) ABL1MKNK2FGFR4CDK8ABL2
SCHEMBL20227766 0.79 ABL1 (0.46) ABL1MKNK2FGFR4CDK8ABL2
SCHEMBL20214708 0.79 ABL1 (0.45) ABL1MKNK2FGFR4CDK8ABL2

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
WO-2018102751-A1 IRE1 SMALL MOLECULE INHIBITORS QUENTIS THERAPEUTICS, INC. (US) 2018-06-07 — — WO disclosed
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