SCHEMBL29800976

SCHEMBL29800976

COc1cc2c(cc1Nc1ncc(Cl)c(-n3cc(CC(=O)OC(C)C)c4ccccc43)n1)CN(C)CC2

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 18/20 0.53
ALK Q9UM73 2/20 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
SCHEMBL22864788 1.00 MAP4K1 (0.53) MAP4K1ALK
SCHEMBL24729178 0.93 MAP4K1 (0.51) MAP4K1ALK
SCHEMBL22864598 0.91 MAP4K1 (0.54) MAP4K1ALK
SCHEMBL31378035 0.91 MAP4K1 (0.54) MAP4K1ALK
SCHEMBL29651200 0.91 MAP4K1 (0.56) MAP4K1ALK
SCHEMBL22864599 0.91 MAP4K1 (0.56) MAP4K1ALK
SCHEMBL22864747 0.90 MAP4K1 (0.58) MAP4K1ALK
SCHEMBL29651102 0.90 MAP4K1 (0.58) MAP4K1ALK
SCHEMBL22864760 0.90 MAP4K1 (0.59) MAP4K1ALK
SCHEMBL29651135 0.90 MAP4K1 (0.59) MAP4K1ALK

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
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed