SCHEMBL25839568

SCHEMBL25839568

CNSc1ccccc1Nc1nc(Nc2ccc(CN3C4CCC3CN(C)C4)cc2)ncc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 11/20 0.50
▸ AURKB Q96GD4 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ ALK Q9UM73 3/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ CCNK O75909 2/20 0.47
▸ CCNA2 P20248 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CCND3 P30281 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ CDK6 Q00534 2/20 0.47
▸ PTK2 Q05397 2/20 0.47
▸ EGFR P00533 1/20 0.47
▸ MAP3K7 O43318 2/20 0.45

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
SCHEMBL21446898 0.84 AXL (0.69) AXLAURKBAURKAALKJAK2
SCHEMBL25837787 0.83 ALK (0.60) AXLAURKBAURKAALKJAK2
SCHEMBL25837703 0.81 AXL (0.74) AXLAURKBAURKAALKIGF1R
SCHEMBL25839528 0.81 PTK2 (0.52) AXLAURKAALKJAK2CCNK
SCHEMBL21446888 0.81 AXL (0.57) AXLAURKBAURKAALKJAK2
SCHEMBL25838868 0.77 AXL (0.53) AXLAURKBAURKAALKJAK2
SCHEMBL21446891 0.77 AXL (0.53) AXLAURKBAURKAALKJAK2
SCHEMBL24073135 0.73 AXL (0.70) AXLAURKBAURKAALKJAK2
SCHEMBL25838410 0.73 AXL (0.58) AXLAURKBAURKAALKJAK2
SCHEMBL25838913 0.73 AXL (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134582-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海立森印迹医药技术有限公司 2023-07-20 — — WO disclosed
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