SCHEMBL24716307

SCHEMBL24716307

CCSc1ccccc1Nc1nc(Nc2cc3c(n(C)c2=O)CCN(C)C3)ncc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 11/20 0.55
▸ ALK Q9UM73 4/20 0.49
▸ AXL P30530 2/20 0.48
▸ MAP3K7 O43318 2/20 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) MAP4K1ALKAXLMETCCNK
SCHEMBL24716037 0.91 MAP4K1 (0.51) MAP4K1ALKAXLMAP3K7MET
SCHEMBL24715909 0.89 MAP4K1 (0.53) MAP4K1ALKAXLMAP3K7MET
SCHEMBL24716912 0.89 AXL (0.52) MAP4K1ALKAXLMETCCNK
SCHEMBL24716378 0.89 MAP4K1 (0.53) MAP4K1ALKAXLMETCCNK
SCHEMBL24716027 0.85 MAP4K1 (0.54) MAP4K1ALKAXLMAP3K7MET
SCHEMBL24716309 0.85 ALK (0.58) MAP4K1ALKAXL
SCHEMBL24716054 0.84 MAP4K1 (0.49) MAP4K1
SCHEMBL24716908 0.84 MAP4K1 (0.53) MAP4K1ALKAXLMAP3K7MET
SCHEMBL24716310 0.84 MAP4K1 (0.54) MAP4K1ALKAXLMAP3K7MET

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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