SCHEMBL24072926

SCHEMBL24072926

O=C(c1ccccc1Nc1nc(Nc2ccc3c(c2)CCCCC3)ncc1Cl)N1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.69
▸ MET P08581 15/20 0.60
▸ INSR P06213 6/20 0.60
▸ ALK Q9UM73 10/20 0.57
▸ MAPK9 P45984 2/20 0.56
▸ MAPK10 P53779 2/20 0.56
▸ MAPK8 P45983 1/20 0.56
▸ EGFR P00533 1/20 0.53
▸ AURKA O14965 1/20 0.52

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
SCHEMBL24073050 0.90 AXL (0.64) AXLMETINSRALKMAPK9
SCHEMBL25834866 0.90 AXL (0.64) AXLMETINSRALKMAPK9
SCHEMBL24073799 0.87 MET (0.71) METINSRALKMAPK9MAPK10
SCHEMBL24073484 0.85 MET (0.73) METINSRALKMAPK9MAPK10
SCHEMBL12964728 0.82 AXL (1.00) AXLALKEGFRAURKA
SCHEMBL24073734 0.80 MAPK9 (0.66) AXLMETINSRALKMAPK9
SCHEMBL24073798 0.80 MAPK9 (0.66) AXLMETINSRALKMAPK9
SCHEMBL24073946 0.80 MET (0.69) AXLMETINSRALKEGFR
SCHEMBL886740 0.80 MET (0.83) METINSRALKMAPK9MAPK10
SCHEMBL885475 0.79 MET (0.78) METINSRALKMAPK9MAPK10

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-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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