SCHEMBL6603420

SCHEMBL6603420

c1cc2ccc3cc[nH]c3c2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ AHR P35869 1/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ TNF P01375 2/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ MAPK10 P53779 3/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NUDT1 P36639 2/20 0.35
▸ AXL P30530 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ PIM1 P11309 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
SCHEMBL1934489 0.84 AURKA (0.46) DYRK1APRKCIAHRPIK3CDPIK3CB
SCHEMBL20412219 0.79 MAPK10 (0.37) CLK1DYRK1APRKCIPIK3CDPIK3CB
SCHEMBL20412216 0.78 CLK1 (0.41) CLK1DYRK1APRKCIPIK3CDPIK3CB
SCHEMBL1159186 0.76 PARP1 (0.53) CLK1DYRK1ATNFMAPT
SCHEMBL29569821 0.75 CLK1 (0.54) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL672509 0.75 CLK1 (0.54) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL10594346 0.73 TNF (0.43) AHRTNFRIPK1KDM4E
SCHEMBL11189722 0.72 MAPT (0.43) CLK1DYRK1ATNFMAPK10HIPK2
SCHEMBL450386 0.72 EGFR (0.40) DYRK1AAHRPIK3CDTNFRIPK1
SCHEMBL30617074 0.72 KDM4A (0.46) CLK1DYRK1APRKCITNFMAPK10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9566273-B2 Nicotinic attenuation of CNS inflammation and autoimmunity DIGNITY HEALTH (US) 2017-02-14 — — US disclosed
US-20140364463-A1 NICOTINIC ATTENUATION OF CNS INFLAMMATION AND AUTOIMMUNITY DIGNITY HEALTH (US) 2014-12-11 — — US disclosed
EP-1109809-B1 PYRROLOQUINOLINES FOR TREATMENT OF OBESITY CEREBRUS PHARM LTD (GB) 2004-11-17 — — EP disclosed
US-6365598-B1 FOR THERAPY AND PROPHYLAXIS OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS; AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-02 — — US disclosed
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