SCHEMBL29533400

SCHEMBL29533400

Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3C)c2)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.42
▸ TYK2 P29597 1/20 0.41
▸ AAK1 Q2M2I8 5/20 0.41
▸ MAP4K1 Q92918 3/20 0.40
▸ GSK3B P49841 4/20 0.39
▸ WNT3A P56704 2/20 0.39
▸ BUB1 O43683 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ GRM1 Q13255 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ NR2C2 P49116 1/20 0.38
▸ TAB1 Q15750 1/20 0.38
▸ HIPK4 Q8NE63 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL22659490 1.00 ABL1 (0.42) ABL1TYK2AAK1MAP4K1GSK3B
SCHEMBL22659499 1.00 ABL1 (0.42) ABL1TYK2AAK1MAP4K1GSK3B
SCHEMBL29532924 1.00 ABL1 (0.42) ABL1TYK2AAK1MAP4K1GSK3B
SCHEMBL22664861 0.93 ABL1 (0.44) ABL1MAP4K1
SCHEMBL29533532 0.93 ABL1 (0.44) ABL1MAP4K1
SCHEMBL22664858 0.93 ABL1 (0.44) ABL1MAP4K1
SCHEMBL29533531 0.91 GSK3B (0.48) ABL1GSK3BMAPK14
SCHEMBL22660077 0.91 GSK3B (0.48) ABL1GSK3BMAPK14
SCHEMBL22659458 0.88 TYK2 (0.47) ABL1TYK2MAP4K1GSK3BBUB1
SCHEMBL22664870 0.84 AAK1 (0.42) AAK1WNT3AGAKROCK2CHRNA1

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
EP-3969124-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2022-03-23 — — EP disclosed
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