SCHEMBL29648558

SCHEMBL29648558

O=C1NCCCC[C@H]1Nc1nc2cccc(Cl)c2c2nc(-c3ccc(F)cc3)nn12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA3 P0DMS8 3/20 0.37
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
FPR2 P25090 2/20 0.37
SCN9A Q15858 2/20 0.37
DGAT2 Q96PD7 1/20 0.36
GRIA1 P42261 1/20 0.36
MAPT P10636 2/20 0.34
XDH P47989 1/20 0.34
APOL1 O14791 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
BDKRB1 P46663 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22987871 1.00 ADORA2A (0.41) ADORA2AADORA1ADORA3MKNK1MKNK2
SCHEMBL29648759 0.92 KDM4E (0.39) ADORA2AADORA1ADORA3MKNK1MKNK2
SCHEMBL22979344 0.92 KDM4E (0.39) ADORA2AADORA1ADORA3MKNK1MKNK2
SCHEMBL29648840 0.90 ADORA2A (0.41) ADORA2AADORA1ADORA3MKNK1MKNK2
SCHEMBL22979154 0.90 ADORA2A (0.41) ADORA2AADORA1ADORA3MKNK1MKNK2
SCHEMBL29648598 0.89 ALDH1A1 (0.41) ADORA2AADORA1ADORA3MKNK1MKNK2
SCHEMBL22979277 0.89 ALDH1A1 (0.41) ADORA2AADORA1ADORA3MKNK1MKNK2
SCHEMBL22980234 0.88 ADORA1 (0.40) ADORA2AADORA1ADORA3MKNK1MKNK2
SCHEMBL29648555 0.88 ADORA1 (0.40) ADORA2AADORA1ADORA3MKNK1MKNK2
SCHEMBL22979466 0.88 ADORA3 (0.37) ADORA2AADORA1ADORA3FPR2SCN9A

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
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN claimed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed