SCHEMBL11536530

SCHEMBL11536530

CC(C)(C)c1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.51
▸ FGR P09769 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ CSNK1A1 P48729 1/20 0.51
▸ CSNK1D P48730 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ HIPK2 Q9H2X6 1/20 0.51
▸ CSNK1G1 Q9HCP0 1/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MMP14 P50281 1/20 0.51
▸ P2RY2 P41231 6/20 0.47
▸ P2RY4 P51582 6/20 0.47
▸ GNG2 P59768 2/20 0.47
▸ GNB1 P62873 2/20 0.47
▸ P2RY12 Q9H244 7/20 0.46
▸ MET P08581 2/20 0.46
▸ HGF P14210 2/20 0.46
▸ P2RY6 Q15077 2/20 0.45

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
SCHEMBL9242850 0.92 NPC1 (0.50) MEN1KMT2AP2RY2P2RY4GNG2
SCHEMBL28520560 0.86 RAB9A (0.50) MEN1KMT2AP2RY2P2RY4GNG2
SCHEMBL10809232 0.85 P2RY4 (0.60) ADORA2AFGRPIM1MAOACSNK1A1
SCHEMBL4704714 0.84 ADORA2A (0.59) ADORA2AFGRPIM1MAOACSNK1A1
SCHEMBL30918998 0.84 ADORA2A (0.63) ADORA2AFGRPIM1MAOACSNK1A1
SCHEMBL169365 0.84 ADORA2A (0.63) ADORA2AFGRPIM1MAOACSNK1A1
SCHEMBL29527792 0.84 ADORA2A (0.63) ADORA2AFGRPIM1MAOACSNK1A1
SCHEMBL1994395 0.82 P2RY12 (0.60) ADORA2AFGRPIM1MAOACSNK1A1
SCHEMBL10877705 0.82 DHODH (0.37) CSNK1A1CSNK1DMEN1KMT2AMAPT
SCHEMBL10808936 0.81 P2RY4 (0.62) ADORA2AFGRPIM1MAOACSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4176113-A ANTRAQUINONE DYES CIBA-GEIGY CORPORATION (US) 1979-11-27 — — US disclosed
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