SCHEMBL24716362

SCHEMBL24716362

CN1CCc2[nH]c(=O)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2C1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 7/20 0.71
▸ NEK2 P51955 1/20 0.63
▸ AURKA O14965 1/20 0.60
▸ AURKB Q96GD4 1/20 0.60
▸ ALK Q9UM73 6/20 0.56
▸ INSR P06213 4/20 0.55
▸ IGF1R P08069 1/20 0.55
▸ MAP4K1 Q92918 7/20 0.53

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
SCHEMBL24716029 0.91 ALK (0.58) AXLNEK2AURKAAURKBALK
SCHEMBL24716297 0.90 ALK (0.57) AXLNEK2AURKAAURKBALK
SCHEMBL29869266 0.90 ALK (0.57) AXLNEK2AURKAAURKBALK
SCHEMBL24716293 0.89 ALK (0.71) ALKINSR
SCHEMBL29869922 0.89 ALK (0.71) ALKINSR
SCHEMBL29869267 0.88 ALK (0.60) AXLNEK2ALKINSRIGF1R
SCHEMBL24716366 0.88 ALK (0.60) AXLNEK2ALKINSRIGF1R
SCHEMBL24716365 0.86 AXL (0.73) AXLNEK2AURKAAURKBALK
SCHEMBL24716363 0.85 MAP4K1 (0.61) AXLALKMAP4K1
SCHEMBL24715919 0.85 MAP4K1 (0.53) AXLALKMAP4K1

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
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