SCHEMBL24716038

SCHEMBL24716038

CC[S+]([O-])c1ccccc1Nc1nc(Nc2cc3c(n(CCO)c2=O)CCN(C)C3)ncc1Cl

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 11/20 0.50
▸ ALK Q9UM73 8/20 0.46
▸ AXL P30530 1/20 0.46
▸ MET P08581 1/20 0.43

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
SCHEMBL24716039 0.92 MAP4K1 (0.53) MAP4K1ALKAXLMET
SCHEMBL24716310 0.91 MAP4K1 (0.54) MAP4K1ALKAXLMET
SCHEMBL24715910 0.84 MAP4K1 (0.68) MAP4K1ALK
SCHEMBL24716043 0.84 MAP4K1 (0.49) MAP4K1ALKAXLMET
SCHEMBL24716046 0.82 MAP4K1 (0.52) MAP4K1ALKAXLMET
SCHEMBL24716302 0.79 MAP4K1 (0.54) MAP4K1ALKAXLMET
SCHEMBL24715916 0.78 MAP4K1 (0.71) MAP4K1ALKMET
SCHEMBL24716307 0.76 MAP4K1 (0.55) MAP4K1ALKAXLMET
SCHEMBL24716309 0.76 ALK (0.58) MAP4K1ALKAXL
SCHEMBL29102656 0.75 MAP4K1 (0.51) MAP4K1ALKAXLMET

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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