SCHEMBL22859015

SCHEMBL22859015

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

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 9/20 0.80
▸ TNIK Q9UKE5 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.37
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ TYK2 P29597 3/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ MAPK1 P28482 4/20 0.35
▸ S1PR1 P21453 1/20 0.34

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
SCHEMBL29609110 1.00 MAP4K1 (0.80) MAP4K1TNIKCAMKK2JAK2JAK1
SCHEMBL22858795 0.94 MAP4K1 (0.80) MAP4K1TNIKCAMKK2JAK2JAK1
SCHEMBL29608148 0.94 MAP4K1 (0.80) MAP4K1TNIKCAMKK2JAK2JAK1
SCHEMBL24954370 0.94 MAP4K1 (0.72) MAP4K1TNIKCAMKK2JAK2JAK1
SCHEMBL22859048 0.94 MAP4K1 (0.78) MAP4K1TNIKCAMKK2JAK2JAK1
Hydrochloric Acid SCHEMBL30215931 0.94 MAP4K1 (0.71) MAP4K1TNIKCAMKK2JAK2JAK1
SCHEMBL22858921 0.93 MAP4K1 (0.69) MAP4K1TNIKPIK3CGMAPK1S1PR1
SCHEMBL29608963 0.93 MAP4K1 (0.69) MAP4K1TNIKPIK3CGMAPK1S1PR1
SCHEMBL22858716 0.93 MAP4K1 (0.77) MAP4K1TNIKCAMKK2JAK2JAK1
SCHEMBL29609233 0.93 MAP4K1 (0.77) MAP4K1TNIKCAMKK2JAK2JAK1

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
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