SCHEMBL24716912

SCHEMBL24716912

CN1CCc2c(cc(Nc3ncc(Cl)c(Nc4ccccc4SN(C)C)n3)c(=O)n2C)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 4/20 0.52
▸ MAP4K1 Q92918 11/20 0.51
▸ ALK Q9UM73 4/20 0.49
▸ NEK2 P51955 1/20 0.45
▸ MET P08581 2/20 0.44
▸ CCNK O75909 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CDK6 Q00534 1/20 0.44

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
SCHEMBL24716047 0.92 MAP4K1 (0.54) AXLMAP4K1ALKMETCCNK
SCHEMBL24716307 0.89 MAP4K1 (0.55) AXLMAP4K1ALKMETCCNK
SCHEMBL24716378 0.89 MAP4K1 (0.53) AXLMAP4K1ALKMETCCNK
SCHEMBL24716037 0.86 MAP4K1 (0.51) AXLMAP4K1ALKMET
SCHEMBL24716365 0.85 AXL (0.73) AXLMAP4K1ALKNEK2
SCHEMBL24715909 0.84 MAP4K1 (0.53) AXLMAP4K1ALKMET
SCHEMBL24716908 0.84 MAP4K1 (0.53) AXLMAP4K1ALKMETCCNK
SCHEMBL24716377 0.83 ALK (0.60) AXLMAP4K1ALKNEK2MET
SCHEMBL24715921 0.83 MAP4K1 (0.72) MAP4K1ALK
SCHEMBL24716046 0.83 MAP4K1 (0.52) AXLMAP4K1ALKMETCCNK

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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