SCHEMBL29513655

SCHEMBL29513655

COc1ccccc1-c1c[nH]c2nc(NC(=O)[C@@H]3C[C@@H]3F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.44
LRRK2 Q5S007 5/20 0.44
ABL1 P00519 3/20 0.43
GSK3B P49841 2/20 0.43
GSK3A P49840 1/20 0.43
MAPK14 Q16539 2/20 0.40
FGFR4 P22455 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL25347848 1.00 MAP4K1 (0.44) MAP4K1LRRK2ABL1GSK3BGSK3A
SCHEMBL29513809 1.00 MAP4K1 (0.44) MAP4K1LRRK2ABL1GSK3BGSK3A
SCHEMBL25346743 1.00 MAP4K1 (0.44) MAP4K1LRRK2ABL1GSK3BGSK3A
SCHEMBL29513415 0.90 MAP4K1 (0.44) MAP4K1LRRK2ABL1FGFR4
SCHEMBL25347037 0.90 MAP4K1 (0.44) MAP4K1LRRK2ABL1FGFR4
SCHEMBL25344739 0.87 GSK3B (0.56) ABL1GSK3BGSK3AMAPK14
SCHEMBL29513749 0.87 GSK3B (0.56) ABL1GSK3BGSK3AMAPK14
SCHEMBL25346885 0.87 GSK3B (0.41) MAP4K1LRRK2ABL1GSK3BGSK3A
SCHEMBL25347760 0.87 GSK3B (0.41) MAP4K1LRRK2ABL1GSK3BGSK3A
SCHEMBL25346377 0.87 GSK3B (0.41) MAP4K1LRRK2ABL1GSK3BGSK3A

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-2022076973-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed