SCHEMBL13494641

SCHEMBL13494641

COc1ccc2c3ccnc(C)c3n(Cc3ccc(C(=O)O)cc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.66
▸ HTR2A P28223 1/20 0.60
▸ HTR2C P28335 1/20 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
SCHEMBL2215202 0.87 DYRK1A (0.81) DYRK1AHTR2AHTR2C
SCHEMBL13494643 0.86 DYRK1A (0.57) DYRK1AHTR2AHTR2C
SCHEMBL23150380 0.82 DYRK1A (0.81) DYRK1AHTR2AHTR2C
SCHEMBL17517549 0.81 DYRK1A (0.69) DYRK1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL23150401 0.80 DYRK1A (1.00) DYRK1AHTR2AHTR2C
SCHEMBL20340616 0.79 DYRK1A (0.88) DYRK1AHTR2AHTR2C
SCHEMBL13874987 0.79 DYRK1A (0.82) DYRK1AHTR2AHTR2C
SCHEMBL23150383 0.79 DYRK1A (0.80) DYRK1A
SCHEMBL23150317 0.79 DYRK1A (1.00) DYRK1A
SCHEMBL668477 0.78 DYRK1A (1.00) DYRK1AHTR2AHTR2C

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-2010015636-A1 BETA-CARBOLIN-DERIVATES AS SUBSTRATES FOR AN ENZYME JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2010-02-11 — — WO disclosed
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