SCHEMBL29646019

SCHEMBL29646019

CC(C)Sc1cccc2c1nc(Nc1ccccnc1=O)n1nc(-c3cnn(C)c3)nc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.33
ADORA3 P0DMS8 8/20 0.32
ADORA1 P30542 5/20 0.32
ADORA2A P29274 4/20 0.32
BRD4 O60885 1/20 0.31
EGFR P00533 2/20 0.31
TTK P33981 2/20 0.31
PDE2A O00408 1/20 0.31
CHRM2 P08172 1/20 0.31
PDE4A P27815 1/20 0.31
PDE1A P54750 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
PDE10A Q9Y233 1/20 0.31
KDM1A O60341 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
SCHEMBL29645875 0.88 AXL (0.37) METADORA3ADORA1ADORA2ABRD4
SCHEMBL29646046 0.86 ADORA1 (0.36) METADORA3ADORA1ADORA2ABRD4
SCHEMBL29645810 0.86 ADORA3 (0.35) METADORA3ADORA1ADORA2ABRD4
SCHEMBL29645761 0.85 ROS1 (0.34) ADORA3ADORA1ADORA2ABRD4
SCHEMBL29645939 0.85 KDM4E (0.44) ADORA3ADORA1ADORA2A
SCHEMBL29646040 0.85 JAK2 (0.31) METTTK
SCHEMBL29645614 0.84 TTK (0.39) ADORA3ADORA1ADORA2ABRD4TTK
SCHEMBL29645800 0.84 CHEK1 (0.34) ADORA3ADORA1ADORA2ABRD4TTK
SCHEMBL29646062 0.83 ADORA3 (0.34) ADORA3ADORA1ADORA2ABRD4EGFR
SCHEMBL29645782 0.83 MAPT (0.43) ADORA3ADORA1ADORA2AKDM1A

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
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