SCHEMBL24073135

SCHEMBL24073135

CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4SN(C)C)n3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 14/20 0.70
▸ AURKB Q96GD4 2/20 0.70
▸ AURKA O14965 1/20 0.70
▸ ALK Q9UM73 3/20 0.64
▸ JAK2 O60674 1/20 0.64
▸ IGF1R P08069 1/20 0.64
▸ CCNK O75909 2/20 0.56
▸ CCNA2 P20248 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ CCND3 P30281 2/20 0.56
▸ CDK9 P50750 2/20 0.56
▸ CDK6 Q00534 2/20 0.56
▸ NEK2 P51955 1/20 0.54
▸ PTK2 Q05397 1/20 0.53
▸ MAP3K7 O43318 1/20 0.53

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
SCHEMBL25838551 0.90 AXL (0.62) AXLAURKBAURKAALKJAK2
SCHEMBL21446899 0.90 AXL (0.57) AXLAURKBAURKAALKJAK2
SCHEMBL25839353 0.90 AXL (0.62) AXLAURKBAURKAALKJAK2
SCHEMBL21446898 0.88 AXL (0.69) AXLAURKBAURKAALKJAK2
SCHEMBL25838913 0.87 AXL (0.54) AXLAURKBAURKAALKJAK2
SCHEMBL25838868 0.86 AXL (0.53) AXLAURKBAURKAALKJAK2
SCHEMBL22872058 0.85 AXL (0.71) AXLAURKBAURKAALKJAK2
SCHEMBL25838760 0.84 NTRK1 (0.51) AXLAURKBAURKAALKJAK2
Dubermatinib SCHEMBL29394359 0.82 AXL (1.00) AXLAURKBAURKAALKJAK2
Dubermatinib SCHEMBL12813478 0.82 AXL (1.00) AXLAURKBAURKAALKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023093859-A1 SALT OF AXL KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 南京正大天晴制药有限公司 2023-06-01 — — WO disclosed
WO-2023093861-A1 MONO-P-TOLUENESULFONATE OF AXL KINASE INHIBITOR AND CRYSTAL FORM THEREOF 南京正大天晴制药有限公司 2023-06-01 — — WO disclosed
WO-2021239133-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR 南京正大天晴制药有限公司 2021-12-02 — — WO disclosed
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