SCHEMBL24716393

SCHEMBL24716393

CN1CCc2c(cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)CC(=O)O)n3)c(=O)n2C)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.55
▸ AXL P30530 4/20 0.54
▸ MAP4K1 Q92918 6/20 0.52
▸ ROS1 P08922 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ NEK2 P51955 1/20 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
SCHEMBL24716309 0.91 ALK (0.58) ALKAXLMAP4K1AURKAAURKB
SCHEMBL24716377 0.88 ALK (0.60) ALKAXLMAP4K1AURKAAURKB
SCHEMBL24716365 0.86 AXL (0.73) ALKAXLMAP4K1AURKAAURKB
SCHEMBL24716360 0.86 ALK (0.73) ALK
SCHEMBL24716012 0.85 ALK (0.62) ALKAXLMAP4K1NEK2
SCHEMBL24716037 0.84 MAP4K1 (0.51) ALKAXLMAP4K1
SCHEMBL24716036 0.83 MAP4K1 (0.53) ALKAXLMAP4K1
SCHEMBL24716043 0.83 MAP4K1 (0.49) ALKAXLMAP4K1
SCHEMBL24716047 0.81 MAP4K1 (0.54) ALKAXLMAP4K1
SCHEMBL24716908 0.81 MAP4K1 (0.53) ALKAXLMAP4K1

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-2022214008-A1 HIGHLY ACTIVE HPK1 KINASE INHIBITOR 杭州阿诺生物医药科技有限公司 2022-10-13 — — WO disclosed
Send feedback