SCHEMBL24716029

SCHEMBL24716029

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 8/20 0.58
▸ AXL P30530 4/20 0.58
▸ INSR P06213 2/20 0.54
▸ IGF1R P08069 2/20 0.54
▸ MAP4K1 Q92918 6/20 0.51
▸ ZAP70 P43403 1/20 0.51
▸ NEK2 P51955 1/20 0.51
▸ MET P08581 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ CDK7 P50613 1/20 0.49
▸ CDK9 P50750 1/20 0.49

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
SCHEMBL24716297 0.92 ALK (0.57) ALKAXLMAP4K1NEK2AURKA
SCHEMBL29869266 0.92 ALK (0.57) ALKAXLMAP4K1NEK2AURKA
SCHEMBL24716293 0.91 ALK (0.71) ALKINSRMET
SCHEMBL29869922 0.91 ALK (0.71) ALKINSRMET
SCHEMBL24716362 0.91 AXL (0.71) ALKAXLINSRIGF1RMAP4K1
SCHEMBL29869267 0.91 ALK (0.60) ALKAXLINSRIGF1RMAP4K1
SCHEMBL24716366 0.91 ALK (0.60) ALKAXLINSRIGF1RMAP4K1
SCHEMBL24715919 0.87 MAP4K1 (0.53) ALKAXLMAP4K1MET
SCHEMBL24716363 0.87 MAP4K1 (0.61) ALKAXLMAP4K1MET
SCHEMBL29102658 0.86 MAP4K1 (0.52) ALKAXLMAP4K1MET

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116848103-A High activity HPK1 kinase inhibitors 杭州阿诺生物医药科技有限公司 2023-10-03 — — CN disclosed
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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