SCHEMBL28927864

SCHEMBL28927864

Cc1cccc(F)c1-c1cc2c(-c3cccc(N4CCNCC4)n3)cnc(N)c2cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 14/20 0.43
MAP4K1 Q92918 3/20 0.42
PIM3 Q86V86 7/20 0.37
PIM2 Q9P1W9 7/20 0.37
PRKCA P17252 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
RET P07949 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL28927866 0.87 MAP4K1 (0.46) PIM1MAP4K1RETTAAR1
SCHEMBL28927858 0.83 RET (0.43) MAP4K1RET
SCHEMBL29930465 0.82 PIM1 (0.41) PIM1MAP4K1PIM3PIM2
SCHEMBL28927874 0.82 PIM1 (0.41) PIM1MAP4K1PIM3PIM2
SCHEMBL28631971 0.77 MAP4K1 (0.51) MAP4K1RET
SCHEMBL29929741 0.77 MAP4K1 (0.51) MAP4K1RET
SCHEMBL28927885 0.75 MAP4K3 (0.43) MAP4K1
SCHEMBL28634046 0.75 MAP4K3 (0.59)
SCHEMBL28638645 0.75 MAP4K3 (0.39) PIM1MAP4K1PIM3PIM2
SCHEMBL28633555 0.74 MAP4K1 (0.42) MAP4K1

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-115244050-B Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2024-06-21 CN disclosed
CN-115244050-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-10-25 CN disclosed