SCHEMBL4036768

SCHEMBL4036768

c1cc2cc3cnccc3cc2cn1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.57
CSNK1D P48730 1/20 0.57
CSNK1E P49674 1/20 0.57
DYRK1A Q13627 1/20 0.57
PRKCZ Q05513 1/20 0.50
HASPIN Q8TF76 10/20 0.48
PIM1 P11309 3/20 0.48
CCNT1 O60563 3/20 0.48
CDK9 P50750 3/20 0.48
CYP19A1 P11511 2/20 0.45
MAPT P10636 1/20 0.44
MELK Q14680 1/20 0.44
IKBKB O14920 1/20 0.43

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
SCHEMBL445516 1.00 CLK1 (0.57) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL13156497 0.97 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL13156539 0.97 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL13156496 0.97 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL13156508 0.97 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL445029 0.92 CLK1 (0.52) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL13156540 0.89 CLK1 (0.50) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL1512981 0.89 CLK1 (0.50) CLK1CSNK1DCSNK1EDYRK1APRKCZ
Methane SCHEMBL29190811 0.89 CLK1 (0.50) CLK1CSNK1DCSNK1EDYRK1APRKCZ
Charcoal, Activated SCHEMBL30641848 0.89 CLK1 (0.50) CLK1CSNK1DCSNK1EDYRK1APRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008034885-A1 USE OF A MATERIAL FOR EXTRACTING POLYAROMATIC OR NEUTRAL NITROGENOUS COMPOUNDS FROM A MIXTURE OF HYDROCARBONS OF THE DIESEL BOILING RANGE UNIVERSITE CLAUDE BERNARD LYON I (FR) 2008-03-27 WO claimed
EP-0394846-B1 Organic photochromic compound SEIKISUI CHEMICAL CO LTD (JP) 1995-06-14 EP claimed
US-5091535-A ORGANIC PHOTOCHROMIC COMPOUND, A DIMER OF PYRIDO QUINOLINE SEIKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-02-25 US claimed
EP-0394846-A2 Organic photochromic compound SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-10-31 EP claimed
US-4335130-A Antifungal composition MORTON-NORWICH PRODUCTS, INC. (US) 1982-06-15 US claimed
US-11815475-B2 Method for identifying molecular structure THE UNIVERSITY OF TOKYO (JP) 2023-11-14 US disclosed
WO-2023192479-A1 TRICYCLIC IRAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-3591387-B1 METHOD FOR IDENTIFYING MOLECULAR STRUCTURE UNIV TOKYO (JP) 2023-09-27 EP disclosed
US-20220134307-A1 ADSORPTION AND DESORPTION APPARATUS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2022-05-05 US disclosed
US-20200096461-A1 METHOD FOR IDENTIFYING MOLECULAR STRUCTURE THE UNIVERSITY OF TOKYO (JP) 2020-03-26 US disclosed
EP-1708701-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed
EP-1708701-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed
EP-0394846-B1 Organic photochromic compound SEIKISUI CHEMICAL CO LTD (JP) 1995-06-14 EP disclosed
US-5091535-A ORGANIC PHOTOCHROMIC COMPOUND, A DIMER OF PYRIDO QUINOLINE SEIKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-02-25 US disclosed
US-5091535-A ORGANIC PHOTOCHROMIC COMPOUND, A DIMER OF PYRIDO QUINOLINE SEIKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-02-25 US disclosed
EP-0394846-A3 ORGANIC PHOTOCHROMIC COMPOUND SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-09-25 EP disclosed
EP-0394846-A2 Organic photochromic compound SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-10-31 EP disclosed
EP-0394846-A2 Organic photochromic compound SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-10-31 EP disclosed
US-4335130-A Antifungal composition MORTON-NORWICH PRODUCTS, INC. (US) 1982-06-15 US disclosed
US-4335130-A Antifungal composition MORTON-NORWICH PRODUCTS, INC. (US) 1982-06-15 US disclosed