SCHEMBL22922544

SCHEMBL22922544

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CC[C@H]4CN(C)CCN54)nc23)ccc1C(=O)N(C)C[C@@H]1CCOC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.54
MTOR P42345 3/20 0.34
JAK2 O60674 5/20 0.34
JAK1 P23458 5/20 0.34
TYK2 P29597 5/20 0.34
JAK3 P52333 5/20 0.34
CYP11B2 P19099 2/20 0.33
MAPK1 P28482 1/20 0.33
PIK3CA P42336 2/20 0.31
TNIK Q9UKE5 1/20 0.31
FASN P49327 1/20 0.31

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
SCHEMBL22922560 1.00 MAP4K1 (0.54) MAP4K1MTORJAK2JAK1TYK2
SCHEMBL29868936 1.00 MAP4K1 (0.54) MAP4K1MTORJAK2JAK1TYK2
SCHEMBL29869147 1.00 MAP4K1 (0.54) MAP4K1MTORJAK2JAK1TYK2
SCHEMBL29869239 0.94 MAP4K1 (0.61) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922395 0.94 MAP4K1 (0.61) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29869467 0.94 MAP4K1 (0.61) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922396 0.94 MAP4K1 (0.61) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922390 0.88 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922389 0.88 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29869139 0.88 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3

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-2021013083-A1 TRICYCLIC COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-28 WO disclosed