SCHEMBL2427433

SCHEMBL2427433

O=C1C=CNc2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ FER P16591 1/20 0.40
▸ LTK P29376 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ CREBBP Q92793 3/20 0.36
▸ BRPF1 P55201 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NOX1 Q9Y5S8 2/20 0.34

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
SCHEMBL8874017 0.83 GSK3B (0.56) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL8874013 0.83 GSK3B (0.56) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL309801 0.72 GSK3B (0.46) GSK3BGAAMAPTCYP1A2MEN1
SCHEMBL1996673 0.71 MAPT (0.38) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL29848588 0.71 MAPT (0.38) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL7440282 0.67 MAPT (0.56) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL7440281 0.67 MAPT (0.56) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL14559393 0.66 ACVR1 (0.52) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL5697347 0.66 ACVR1 (0.67) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL10671049 0.65 MAPT (0.54) ACVR1LRRK2PDGFRAFERLTK

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1540329-A4 DRUG DISCOVERY METHOD KEDDEM BIO SCIENCE LTD (IL) 2009-06-10 — — EP claimed
JP-2006507480-A — — 2006-03-02 — — JP claimed
EP-1540329-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2005-06-15 — — EP claimed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 — — WO claimed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 — — US disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 — — US disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 — — US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 — — US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 — — US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 — — US disclosed
EP-2581849-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2013-04-17 — — EP disclosed
EP-2581849-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2013-04-17 — — EP disclosed
EP-1540329-A4 DRUG DISCOVERY METHOD KEDDEM BIO SCIENCE LTD (IL) 2009-06-10 — — EP disclosed
EP-1651234-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-03 — — EP disclosed
US-20050277117-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2005-12-15 — — US disclosed
EP-1540329-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2005-06-15 — — EP disclosed
WO-2005014002-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 — — WO disclosed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 — — WO disclosed
US-4764512-A Benzodiazinone-pyridone compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1988-08-16 — — US disclosed
US-4123430-A 2-Aryl-4-(1-piperazinyl)-3H-1,5-benzodiazepines G. D. SEARLE & CO. (US) 1978-10-31 — — US disclosed
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