SCHEMBL10415363

SCHEMBL10415363

Nc1cccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 2/20 0.62
▸ GNB1 P62873 2/20 0.62
▸ ADORA2A P29274 3/20 0.54
▸ CSNK1A1 P48729 2/20 0.54
▸ CSNK1D P48730 2/20 0.54
▸ CSNK1G1 Q9HCP0 2/20 0.54
▸ FGR P09769 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ MAOA P21397 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ HIPK2 Q9H2X6 1/20 0.54
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MMP14 P50281 1/20 0.50
▸ P2RY12 Q9H244 6/20 0.48
▸ MAPT P10636 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL11786902 0.94 GNG2 (0.67) GNG2GNB1MEN1KMT2AP2RY12
SCHEMBL10812150 0.87 GNG2 (0.60) GNG2GNB1ADORA2AMEN1KMT2A
SCHEMBL169365 0.86 ADORA2A (0.63) GNG2GNB1ADORA2ACSNK1A1CSNK1D
SCHEMBL30918998 0.86 ADORA2A (0.63) GNG2GNB1ADORA2ACSNK1A1CSNK1D
SCHEMBL29527792 0.86 ADORA2A (0.63) GNG2GNB1ADORA2ACSNK1A1CSNK1D
SCHEMBL5718104 0.86 P2RY4 (0.62) GNG2GNB1ADORA2ACSNK1A1CSNK1D
SCHEMBL10808217 0.86 GNG2 (0.62) GNG2GNB1CSNK1A1CSNK1DCSNK1G1
SCHEMBL10809797 0.85 GNG2 (0.61) GNG2GNB1ADORA2AMAOAMEN1
SCHEMBL10816305 0.85 GNG2 (0.58) GNG2GNB1ADORA2AMEN1KMT2A
Hydrochloric Acid SCHEMBL28742975 0.84 GNG2 (0.60) GNG2GNB1ADORA2AMAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040634-B2 Polycarboxylic acid dye with low polymerization degree DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-05-26 — — US disclosed
US-20130289218-A1 POLYCARBOXYLIC ACID DYE WITH LOW POLYMERIZATION DEGREE DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2013-10-31 — — US disclosed
CN-101891968-A Low polymerization polycarboxylic acid dyes UNIV DALIAN TECH 2010-11-24 — — CN disclosed
US-4906737-A Azo dye of the pyridone series containing a fluoro-s-triazinyl fibre-reactive group CIBA-GEIGY CORPORATION (US) 1990-03-06 — — US disclosed
US-4676803-A Reactive azo dyestuffs, free from anionic groups and containing a basic group and halogenotriazinyl radical and useful for dyeing cellulose/polyester BAYER AKTIENGESELLSCHAFT (DE) 1987-06-30 — — US disclosed
EP-0022209-B1 FLUOR-TRIAZINE DYESTUFFS AND THEIR USE IN DYEING CELLULOSIC FIBROUS MATERIALS BAYER AG (DE) 1985-04-17 — — EP disclosed
US-4503224-A FIBER-REACTIVE, COTTON-POLYESTER BLENDS BAYER AKTIENGESELLSCHAFT (DE) 1985-03-05 — — US disclosed
EP-0019728-B1 UTILISATION OF REACTIVE DYESTUFFS IN DYEING AND PRINTING BLENDED FABRICS POLYESTER/COTTON BAYER AG (DE) 1983-01-12 — — EP disclosed
EP-0019728-A1 Utilisation of reactive dyestuffs in dyeing and printing blended fabrics polyester/cotton BAYER AG (DE) 1980-12-10 — — EP disclosed
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