SCHEMBL25838410

SCHEMBL25838410

CNSc1cccnc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 16/20 0.58
▸ AURKB Q96GD4 2/20 0.56
▸ AURKA O14965 1/20 0.56
▸ ALK Q9UM73 2/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ IGF1R P08069 1/20 0.55
▸ SLC2A1 P11166 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ CCNK O75909 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CDK6 Q00534 1/20 0.47

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 0.88 AXL (0.69) AXLAURKBAURKAALKJAK2
SCHEMBL25838418 0.82 AXL (0.66) AXLAURKBAURKAALKJAK2
SCHEMBL31173516 0.80 AXL (0.80) AXLAURKBAURKAALKJAK2
SCHEMBL25840157 0.80 AXL (0.80) AXLAURKBAURKAALKJAK2
SCHEMBL21446888 0.79 AXL (0.57) AXLAURKBAURKAALKJAK2
SCHEMBL24073135 0.79 AXL (0.70) AXLAURKBAURKAALKJAK2
SCHEMBL25837702 0.77 AXL (0.80) AXLAURKBAURKAALKJAK2
SCHEMBL25838551 0.76 AXL (0.62) AXLAURKBAURKAALKJAK2
SCHEMBL25839353 0.76 AXL (0.62) AXLAURKBAURKAALKJAK2
SCHEMBL21446891 0.75 AXL (0.53) 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
Send feedback