SCHEMBL10812574

SCHEMBL10812574

CN(C)Cc1cccc(Nc2ccc(Nc3cccc(CN(C)C)c3)c3c2C(=O)c2cccc(N)c2C3=O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 7/20 0.45
▸ ADORA2A P29274 1/20 0.41
▸ PRKCA P17252 1/20 0.39
▸ ACP1 P24666 3/20 0.38
▸ P2RY12 Q9H244 4/20 0.38
▸ P2RY2 P41231 3/20 0.38
▸ P2RY6 Q15077 1/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ GNG2 P59768 1/20 0.38
▸ GNB1 P62873 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ NAT1 P18440 1/20 0.37
▸ CAMK2D Q13557 1/20 0.36

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
SCHEMBL10940967 0.91 P2RY4 (0.50) P2RY4ADORA2APRKCAP2RY12P2RY2
SCHEMBL10811745 0.88 MEN1 (0.44) P2RY4ADORA2APRKCAP2RY12P2RY2
SCHEMBL2871232 0.77 MEN1 (0.50) P2RY4ADORA2APRKCAP2RY12P2RY2
SCHEMBL17323745 0.77 P2RY4 (0.64) P2RY4ADORA2APRKCAP2RY12P2RY2
SCHEMBL29637824 0.77 MEN1 (0.50) P2RY4ADORA2APRKCAP2RY12P2RY2
SCHEMBL14613068 0.76 P2RY4 (0.51) P2RY4ADORA2APRKCAP2RY12P2RY2
SCHEMBL10809532 0.75 P2RY2 (0.52) P2RY4ADORA2AP2RY12P2RY2P2RY6
SCHEMBL17320715 0.74 P2RY4 (0.50) P2RY4ADORA2APRKCAP2RY12P2RY2
SCHEMBL14582107 0.74 P2RY4 (0.53) P2RY4ADORA2APRKCAP2RY12P2RY2
SCHEMBL10613450 0.72 P2RY4 (0.54) P2RY4

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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