SCHEMBL29645875

SCHEMBL29645875

CC(C)c1cccc2c1nc(Nc1ccccnc1=O)n1nc(-c3cnn(C)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.37
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
ADORA3 P0DMS8 8/20 0.33
ADORA1 P30542 5/20 0.33
ADORA2A P29274 4/20 0.33
MET P08581 2/20 0.33
BRD4 O60885 1/20 0.32
USP1 O94782 2/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL29646046 0.88 ADORA1 (0.36) AXLADORA3ADORA1ADORA2AMET
SCHEMBL29645810 0.88 ADORA3 (0.35) ADORA3ADORA1ADORA2AMETBRD4
SCHEMBL29646019 0.88 MET (0.33) ADORA3ADORA1ADORA2AMETBRD4
SCHEMBL29645761 0.87 ROS1 (0.34) ADORA3ADORA1ADORA2ABRD4
SCHEMBL29645614 0.86 TTK (0.39) AXLJAK1JAK3ADORA3ADORA1
SCHEMBL29645800 0.86 CHEK1 (0.34) ADORA3ADORA1ADORA2ABRD4KDM1A
SCHEMBL29646062 0.85 ADORA3 (0.34) ADORA3ADORA1ADORA2ABRD4
SCHEMBL29645782 0.85 MAPT (0.43) ADORA3ADORA1ADORA2AKDM1A
SCHEMBL29645725 0.84 TP53 (0.35) AXLADORA3ADORA1ADORA2AMET
SCHEMBL29646158 0.84 ADORA3 (0.32) ADORA3ADORA1ADORA2AMETBRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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