SCHEMBL29648628

SCHEMBL29648628

CCn1cc(-c2nc3c4cccc(C(F)(F)F)c4nc(N[C@@H]4CCCCNC4=O)n3n2)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.33
ADORA1 P30542 11/20 0.33
ADORA3 P0DMS8 7/20 0.33
ADORA2B P29275 5/20 0.33
KCNH2 Q12809 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 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
SCHEMBL22988432 1.00 ADORA2A (0.33) ADORA2AADORA1ADORA3ADORA2BKCNH2
SCHEMBL22988475 0.91 ADORA2A (0.35) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL22979399 0.90 BRD4 (0.39) ADORA2AADORA1ADORA3ADORA2BKCNH2
SCHEMBL22980897 0.90 CCNT1 (0.31) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL22988490 0.90 CCNT1 (0.31) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL22979849 0.90 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BPIM1
SCHEMBL22978983 0.90 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL29648773 0.90 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BPIM1
SCHEMBL22979348 0.89 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BPIM1
SCHEMBL22988463 0.89 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BKCNH2

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