SCHEMBL21446891

SCHEMBL21446891

CNSc1ccccc1Nc1nc(Nc2ccc(CN3CC[N+](C)(OC)CC3)cc2)ncc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 9/20 0.53
▸ AURKB Q96GD4 3/20 0.51
▸ AURKA O14965 2/20 0.51
▸ PTK2 Q05397 4/20 0.50
▸ ALK Q9UM73 2/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ EGFR P00533 3/20 0.49
▸ CCNA2 P20248 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CCNK O75909 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CDK6 Q00534 1/20 0.46

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
SCHEMBL21446888 0.86 AXL (0.57) AXLAURKBAURKAPTK2ALK
SCHEMBL21446898 0.86 AXL (0.69) AXLAURKBAURKAPTK2ALK
SCHEMBL25839528 0.80 PTK2 (0.52) AXLAURKAPTK2ALKJAK2
SCHEMBL25839568 0.77 AXL (0.50) AXLAURKBAURKAPTK2ALK
SCHEMBL21446899 0.76 AXL (0.57) AXLAURKBAURKAPTK2ALK
SCHEMBL25838410 0.75 AXL (0.58) AXLAURKBAURKAALKJAK2
SCHEMBL24073135 0.75 AXL (0.70) AXLAURKBAURKAPTK2ALK
SCHEMBL21446893 0.74 AXL (0.63) AXLAURKBAURKAPTK2ALK
SCHEMBL22872031 0.74 AXL (0.63) AXLAURKBAURKAPTK2ALK
SCHEMBL22872062 0.71 AXL (0.79) AXLAURKBAURKAPTK2EGFR

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-2019195753-A1 AXL KINASE INHIBITORS AND USE OF THE SAME TOLERO PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
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