SCHEMBL31283256

SCHEMBL31283256

NCc1ccc2cc[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.41
NUDT1 P36639 1/20 0.41
CDK8 P49336 2/20 0.37
BRD4 O60885 1/20 0.36
APP P05067 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.32
DYRK1A Q13627 1/20 0.32
BACE1 P56817 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MAPK1 P28482 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
Hydrochloric Acid SCHEMBL4976930 0.98 AXL (0.39) AXLNUDT1CDK8BRD4APP
SCHEMBL4167148 0.79 AXL (0.41) AXLNUDT1CDK8BRD4APP
SCHEMBL6929283 0.79 CCR1 (0.50) AXLNUDT1CDK8BRD4APP
SCHEMBL6928507 0.79 CCR1 (0.50) AXLNUDT1CDK8BRD4APP
SCHEMBL11888031 0.76 AXL (0.38) AXLNUDT1BRD4APPPIK3CD
SCHEMBL5925823 0.75 AXL (0.37) AXLNUDT1BRD4APP
SCHEMBL18430380 0.75 AXL (0.37) AXLNUDT1BRD4APPMAPK1
SCHEMBL10130905 0.75 AXL (0.37) AXLNUDT1CDK8BRD4APP
SCHEMBL12874655 0.73 KCNH2 (0.43) AXLNUDT1BRD4APPBACE1
SCHEMBL14639405 0.72

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-119371419-A PKMYT1 kinase inhibitors 杭州邦顺制药有限公司 2025-01-28 CN disclosed