SCHEMBL22858872

SCHEMBL22858872

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CC(C)O)c(C)c4)c3n2)cc2c1CCN(C)C2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.70
SYK P43405 2/20 0.40
CYP2C9 P11712 1/20 0.39
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
JAK3 P52333 4/20 0.38
TYK2 P29597 3/20 0.38
PIK3CG P48736 2/20 0.38
MAP3K5 Q99683 1/20 0.35
MAPK1 P28482 1/20 0.34
POLQ O75417 1/20 0.34
IL2 P60568 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
SCHEMBL29608435 1.00 MAP4K1 (0.70) MAP4K1SYKCYP2C9JAK2JAK1
SCHEMBL22858870 1.00 MAP4K1 (0.70) MAP4K1SYKCYP2C9JAK2JAK1
SCHEMBL29607915 0.95 MAP4K1 (0.64) MAP4K1SYKCYP2C9JAK2JAK1
SCHEMBL22858819 0.95 MAP4K1 (0.64) MAP4K1SYKCYP2C9JAK2JAK1
SCHEMBL22858771 0.95 MAP4K1 (0.64) MAP4K1SYKCYP2C9JAK2JAK1
SCHEMBL22858867 0.93 MAP4K1 (0.81) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL29609219 0.93 MAP4K1 (0.81) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL22858765 0.93 MAP4K1 (0.81) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL22858777 0.93 MAP4K1 (0.81) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL29608396 0.93 MAP4K1 (0.81) MAP4K1JAK2JAK1JAK3TYK2

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