SCHEMBL25838868

SCHEMBL25838868

CN(C)Sc1ccccc1Nc1nc(Nc2ccc(CN3CC4CCC(C3)N4C)cc2)ncc1Cl

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 12/20 0.53
▸ AURKB Q96GD4 2/20 0.53
▸ AURKA O14965 1/20 0.53
▸ JAK2 O60674 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ ALK Q9UM73 1/20 0.51
▸ PTK2 Q05397 5/20 0.50
▸ EGFR P00533 3/20 0.48

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
SCHEMBL25838913 0.91 AXL (0.54) AXLAURKBAURKAJAK2IGF1R
SCHEMBL24073135 0.86 AXL (0.70) AXLAURKBAURKAJAK2IGF1R
SCHEMBL21446899 0.84 AXL (0.57) AXLAURKBAURKAJAK2IGF1R
SCHEMBL25837706 0.84 AXL (0.77) AXLAURKBAURKAIGF1RALK
SCHEMBL25838760 0.81 NTRK1 (0.51) AXLAURKBAURKAJAK2ALK
SCHEMBL25839568 0.77 AXL (0.50) AXLAURKBAURKAJAK2IGF1R
SCHEMBL25839353 0.77 AXL (0.62) AXLAURKBAURKAJAK2IGF1R
SCHEMBL25838551 0.77 AXL (0.62) AXLAURKBAURKAJAK2IGF1R
SCHEMBL21446898 0.75 AXL (0.69) AXLAURKBAURKAJAK2IGF1R
SCHEMBL25837707 0.74 AXL (0.78) AXLAURKBAURKAALKPTK2

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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