SCHEMBL22858765

SCHEMBL22858765

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(C)CC5)nc23)ccc1C(=O)N(C)C[C@@H](C)O

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.81
PIK3CG P48736 3/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
MAPK1 P28482 5/20 0.35
PAK1 Q13153 2/20 0.34
PKN1 Q16512 1/20 0.34
TNIK Q9UKE5 1/20 0.33

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
SCHEMBL22858777 1.00 MAP4K1 (0.81) MAP4K1PIK3CGJAK2JAK1TYK2
SCHEMBL29609219 1.00 MAP4K1 (0.81) MAP4K1PIK3CGJAK2JAK1TYK2
SCHEMBL29608396 1.00 MAP4K1 (0.81) MAP4K1PIK3CGJAK2JAK1TYK2
SCHEMBL22858867 1.00 MAP4K1 (0.81) MAP4K1PIK3CGJAK2JAK1TYK2
SCHEMBL22858708 0.94 MAP4K1 (0.81) MAP4K1PIK3CGJAK2JAK1TYK2
SCHEMBL29608998 0.94 MAP4K1 (0.81) MAP4K1PIK3CGJAK2JAK1TYK2
SCHEMBL22858775 0.94 MAP4K1 (0.81) MAP4K1PIK3CGJAK2JAK1TYK2
SCHEMBL22858869 0.94 MAP4K1 (0.81) MAP4K1PIK3CGJAK2JAK1TYK2
SCHEMBL29608121 0.94 MAP4K1 (0.81) MAP4K1PIK3CGJAK2JAK1TYK2
SCHEMBL22858872 0.93 MAP4K1 (0.70) MAP4K1PIK3CGJAK2JAK1TYK2

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-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 WO disclosed