SCHEMBL22922592

SCHEMBL22922592

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.56
JAK3 P52333 6/20 0.34
JAK2 O60674 5/20 0.34
JAK1 P23458 4/20 0.34
TYK2 P29597 4/20 0.34
BTK Q06187 1/20 0.32
ITK Q08881 1/20 0.32
TNIK Q9UKE5 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL22922493 1.00 MAP4K1 (0.56) MAP4K1JAK3JAK2JAK1TYK2
SCHEMBL29869138 1.00 MAP4K1 (0.56) MAP4K1JAK3JAK2JAK1TYK2
SCHEMBL29869424 1.00 MAP4K1 (0.56) MAP4K1JAK3JAK2JAK1TYK2
SCHEMBL22922401 0.94 MAP4K1 (0.63) MAP4K1JAK3JAK2JAK1TYK2
SCHEMBL22922398 0.94 MAP4K1 (0.63) MAP4K1JAK3JAK2JAK1TYK2
SCHEMBL28501848 0.94 MAP4K1 (0.63) MAP4K1JAK3JAK2JAK1TYK2
SCHEMBL29869035 0.94 MAP4K1 (0.63) MAP4K1JAK3JAK2JAK1TYK2
SCHEMBL29869121 0.94 MAP4K1 (0.63) MAP4K1JAK3JAK2JAK1TYK2
SCHEMBL22922389 0.91 MAP4K1 (0.67) MAP4K1JAK3JAK2JAK1TYK2
SCHEMBL22922390 0.91 MAP4K1 (0.67) MAP4K1JAK3JAK2JAK1TYK2

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