SCHEMBL25401085

SCHEMBL25401085

N#Cc1c[nH]c2nc(N)ncc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHUK O15111 17/20 0.51
LRRK2 Q5S007 1/20 0.47
IKBKB O14920 5/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL30899087 0.79 LRRK2 (0.47) CHUKLRRK2
SCHEMBL28274262 0.79 LRRK2 (0.47) CHUKLRRK2
SCHEMBL31586107 0.79 LRRK2 (0.47) CHUKLRRK2
SCHEMBL26638109 0.76 LRRK2 (0.44) CHUKLRRK2
SCHEMBL5260963 0.75 LRRK2 (0.54) CHUKLRRK2
SCHEMBL30199352 0.75 LRRK2 (0.54) CHUKLRRK2
SCHEMBL25158173 0.74 AXL (0.48)
SCHEMBL3827956 0.74 LRRK2 (0.53) CHUKLRRK2IKBKB
Hydrochloric Acid SCHEMBL28274256 0.74 LRRK2 (0.53) CHUKLRRK2
SCHEMBL17769864 0.73 MAP3K14 (0.38)

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
WO-2023177351-A1 NF ҚB INDUCING KINASE INHIBITORS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-09-21 WO disclosed