SCHEMBL17102959

SCHEMBL17102959

CCCCOc1ccc2c3ccnc(C)c3n(CCCC)c2c1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.84
▸ HASPIN Q8TF76 5/20 0.67
▸ HTR2A P28223 1/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ MAOA P21397 1/20 0.58
▸ MAOB P27338 1/20 0.58

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
SCHEMBL17502379 0.97 DYRK1A (0.80) DYRK1AHASPINHTR2AHTR2C
SCHEMBL17502366 0.96 DYRK1A (0.78) DYRK1AHASPINHTR2AHTR2C
SCHEMBL17102950 0.95 DYRK1A (0.77) DYRK1AHASPINHTR2AHTR2C
SCHEMBL17517499 0.93 DYRK1A (0.73) DYRK1AHASPINHTR2AHTR2C
SCHEMBL17517497 0.92 DYRK1A (0.72) DYRK1AHASPINHTR2AHTR2C
SCHEMBL2217125 0.91 DYRK1A (1.00) DYRK1AHASPINHTR2AHTR2C
SCHEMBL27917524 0.91 DYRK1A (0.77) DYRK1AHASPINHTR2AHTR2CMAOA
SCHEMBL27917535 0.90 DYRK1A (0.76) DYRK1AHASPINHTR2AHTR2CMAOA
SCHEMBL27899826 0.89 DYRK1A (0.68) DYRK1AHASPINHTR2AHTR2CMAOA
SCHEMBL27917640 0.88 DYRK1A (0.77) DYRK1AHASPIN

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-2924042-A1 BIS- -CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2015-09-30 — — EP disclosed
CN-103070862-A Application of harmine derivative in preparation of antibacterial drugs XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-05-01 — — CN disclosed
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