SCHEMBL29648650

SCHEMBL29648650

O=C1NCCCC[C@H]1Nc1nc2ccccc2c2nc(-c3ccc(Br)cc3OC(F)(F)F)nn12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.39
ADRA2A P08913 14/20 0.39
NPY5R Q15761 10/20 0.39
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL22979537 1.00 MCHR1 (0.39) MCHR1ADRA2ANPY5RMKNK1MKNK2
SCHEMBL29648768 1.00 MCHR1 (0.39) MCHR1ADRA2ANPY5RMKNK1MKNK2
SCHEMBL22979327 1.00 MCHR1 (0.39) MCHR1ADRA2ANPY5RMKNK1MKNK2
SCHEMBL22980903 0.95 MCHR1 (0.37) MCHR1ADRA2ANPY5RMKNK1MKNK2
SCHEMBL29648543 0.95 MCHR1 (0.37) MCHR1ADRA2ANPY5RMKNK1MKNK2
SCHEMBL22979595 0.95 MCHR1 (0.37) MCHR1ADRA2ANPY5RMKNK1MKNK2
SCHEMBL29648731 0.95 MCHR1 (0.37) MCHR1ADRA2ANPY5RMKNK1MKNK2
SCHEMBL22979159 0.92 MKNK1 (0.36) MKNK1MKNK2ADORA2AADORA1MGLL
SCHEMBL29648679 0.92 MKNK1 (0.36) MKNK1MKNK2ADORA2AADORA1MGLL
SCHEMBL22979590 0.91 MKNK1 (0.36) MKNK1MKNK2ADORA2AADORA1MGLL

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
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed