SCHEMBL29645830

SCHEMBL29645830

N#Cc1cccc2c1nc(N[C@@H]1CCCCNC1=O)n1nc(-c3cnn(C(F)F)c3)nc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
PIK3CD O00329 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
SCN9A Q15858 1/20 0.31
LRRK2 Q5S007 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL22979782 1.00 JAK2 (0.33) JAK2TYK2PIK3CDADORA2AADORA1
SCHEMBL25118922 1.00 JAK2 (0.33) JAK2TYK2PIK3CDADORA2AADORA1
SCHEMBL22979260 0.93 JAK2 (0.37) JAK2TYK2ADORA2AADORA1LRRK2
SCHEMBL29645651 0.90 JAK2 (0.33) JAK2TYK2PIK3CDLRRK2
SCHEMBL22979209 0.90 JAK2 (0.33) JAK2TYK2PIK3CDLRRK2
SCHEMBL22979950 0.90 CREBBP (0.35) PIK3CDADORA2AADORA1LRRK2
SCHEMBL22979216 0.89 ADORA2A (0.33) ADORA2AADORA1MKNK1MKNK2
SCHEMBL22979232 0.88 KDM5A (0.36) ADORA2AADORA1SCN9AMKNK1MKNK2
SCHEMBL22978964 0.88 ADORA2A (0.36) ADORA2AADORA1
SCHEMBL22979051 0.88 KDM5A (0.38) JAK2ADORA2AADORA1MKNK1MKNK2

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 6 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
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed
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 disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed