SCHEMBL22859134

SCHEMBL22859134

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4)c3n2)cc2c1CCN(CCC(=O)NCC(C)(C)O)C2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 9/20 0.63
▸ TNIK Q9UKE5 1/20 0.37
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ MAP3K11 Q16584 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PIK3CG P48736 2/20 0.32
▸ MAPK1 P28482 3/20 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
SCHEMBL22858719 0.94 MAP4K1 (0.72) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL29609039 0.94 MAP4K1 (0.72) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL22858828 0.90 MAP4K1 (0.65) MAP4K1TNIKAXLMERTKJAK2
SCHEMBL29607748 0.90 MAP4K1 (0.65) MAP4K1TNIKAXLMERTKJAK2
SCHEMBL29608963 0.89 MAP4K1 (0.69) MAP4K1TNIKAXLMERTKMAP3K11
SCHEMBL22858921 0.89 MAP4K1 (0.69) MAP4K1TNIKAXLMERTKMAP3K11
SCHEMBL22859000 0.89 MAP4K1 (0.69) MAP4K1TNIKAXLMERTKMAP3K11
SCHEMBL22858731 0.88 MAP4K1 (0.65) MAP4K1TNIKAXLMERTKJAK3
SCHEMBL22858918 0.88 MAP4K1 (0.71) MAP4K1TNIKAXLMERTKJAK2
SCHEMBL22858859 0.87 MAP4K1 (0.64) MAP4K1TNIKAXLMERTKJAK2

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
Send feedback