SCHEMBL29520282

SCHEMBL29520282

Cn1ncc2ccc(-c3ccnc(Cl)n3)cc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
SLC2A1 P11166 1/20 0.48
IRAK4 Q9NWZ3 10/20 0.42
SYK P43405 1/20 0.41
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
TRPM5 Q9NZQ8 1/20 0.38
PRMT5 O14744 1/20 0.37
FASN P49327 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KMO O15229 1/20 0.37

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
SCHEMBL21016920 1.00 ERCC1 (0.49) ERCC1ERCC4SLC2A1IRAK4SYK
SCHEMBL21871231 0.89 TRPA1 (0.45) SLC2A1SYKCCNCCDK8TRPM5
SCHEMBL30039116 0.82 IRAK4 (0.41) IRAK4KMO
SCHEMBL19836551 0.82 IRAK4 (0.41) IRAK4KMO
SCHEMBL21016921 0.81 KMO (0.44) SLC2A1IRAK4KMO
SCHEMBL15344155 0.79 IRAK4 (0.48) ERCC1ERCC4SLC2A1IRAK4SYK
SCHEMBL21016916 0.79 PTGER3 (0.39) SLC2A1IRAK4KMO
SCHEMBL29445974 0.78 ERCC1 (0.47) ERCC1ERCC4SLC2A1IRAK4SYK
SCHEMBL17059337 0.77 APP (0.49) SLC2A1KMO
SCHEMBL18652286 0.77 IRAK4 (0.61) ERCC1ERCC4SLC2A1IRAK4SYK

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-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed