SCHEMBL29648733

SCHEMBL29648733

COc1ccc(-c2nc3c4c(OC)cccc4nc(N[C@@H]4CCCCNC4=O)n3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGDS O60760 3/20 0.41
ADORA1 P30542 2/20 0.40
ADORA2A P29274 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
SYK P43405 3/20 0.38
ZAP70 P43403 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
POLB P06746 1/20 0.38
SCN9A Q15858 1/20 0.38
XDH P47989 1/20 0.37
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL22979858 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSADORA1ADORA2A
SCHEMBL22979167 0.92 ADORA1 (0.42) ALDH1A1KDM4EHPGDSADORA1ADORA2A
SCHEMBL29648764 0.92 ADORA1 (0.42) ALDH1A1KDM4EHPGDSADORA1ADORA2A
SCHEMBL29648632 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSADORA1ADORA2A
SCHEMBL22979277 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSADORA1ADORA2A
SCHEMBL29646394 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSADORA1ADORA2A
SCHEMBL22979095 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSADORA1ADORA2A
SCHEMBL22979361 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSADORA1ADORA2A
SCHEMBL29648598 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSADORA1ADORA2A
SCHEMBL25118750 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDSADORA1ADORA2A

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