SCHEMBL10812203

SCHEMBL10812203

CN(C)Cc1ccccc1Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.55
▸ ADORA2A P29274 4/20 0.49
▸ CSNK1A1 P48729 2/20 0.49
▸ CSNK1D P48730 2/20 0.49
▸ CSNK1G1 Q9HCP0 2/20 0.49
▸ FGR P09769 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ HIPK2 Q9H2X6 1/20 0.49
▸ P2RY2 P41231 7/20 0.47
▸ P2RY4 P51582 6/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ POLB P06746 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ FGB P02675 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
SCHEMBL7037057 0.82 ADORA2A (0.73) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL2871232 0.81 MEN1 (0.50) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL29637824 0.81 MEN1 (0.50) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL10940967 0.78 P2RY4 (0.50) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL4162091 0.78 ADORA2A (0.61) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL14860870 0.77 P2RY2 (0.61) MAOAP2RY2P2RY4MEN1KMT2A
SCHEMBL11536543 0.75 P2RY4 (0.60) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL31037866 0.75 MAPT (0.64) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL28167536 0.74 ADORA2A (0.53) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL5537082 0.74 P2RY4 (0.51) MAOAP2RY2P2RY4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4503224-A FIBER-REACTIVE, COTTON-POLYESTER BLENDS BAYER AKTIENGESELLSCHAFT (DE) 1985-03-05 — — US disclosed
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