SCHEMBL10940967

SCHEMBL10940967

CN(C)Cc1cccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 10/20 0.50
▸ FGR P09769 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ HIPK2 Q9H2X6 1/20 0.44
▸ CSNK1G1 Q9HCP0 1/20 0.44
▸ PRKCA P17252 1/20 0.43
▸ P2RY12 Q9H244 8/20 0.43
▸ P2RY2 P41231 6/20 0.43
▸ P2RY6 Q15077 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GNG2 P59768 2/20 0.42
▸ GNB1 P62873 2/20 0.42
▸ CDK2 P24941 1/20 0.40

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
SCHEMBL10812574 0.91 P2RY4 (0.45) P2RY4ADORA2APRKCAP2RY12P2RY2
SCHEMBL2871232 0.87 MEN1 (0.50) P2RY4FGRPIM1MAOAADORA2A
SCHEMBL29637824 0.87 MEN1 (0.50) P2RY4FGRPIM1MAOAADORA2A
SCHEMBL17323745 0.87 P2RY4 (0.64) P2RY4FGRPIM1MAOAADORA2A
SCHEMBL14613068 0.85 P2RY4 (0.51) P2RY4FGRPIM1MAOAADORA2A
SCHEMBL17320715 0.84 P2RY4 (0.50) P2RY4FGRPIM1MAOAADORA2A
SCHEMBL14582107 0.83 P2RY4 (0.53) P2RY4FGRPIM1MAOAADORA2A
SCHEMBL5718104 0.80 P2RY4 (0.62) P2RY4FGRPIM1MAOAADORA2A
SCHEMBL10415363 0.80 GNG2 (0.62) P2RY4FGRPIM1MAOAADORA2A
SCHEMBL10811745 0.79 MEN1 (0.44) P2RY4ADORA2APRKCAP2RY12P2RY2

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