SCHEMBL21592916

SCHEMBL21592916

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CC(C)(C)O)cc4)c3n2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.61
MAP3K11 Q16584 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 5/20 0.37
TNIK Q9UKE5 1/20 0.37
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
BTK Q06187 1/20 0.35
ITK Q08881 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35

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
SCHEMBL22922399 0.95 MAP4K1 (0.57) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL21592732 0.91 MAP4K1 (0.64) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL21592724 0.89 MAP4K1 (0.67) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL21592719 0.89 MAP4K1 (0.63) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL22922593 0.88 MAP4K1 (0.56) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL21592649 0.88 MAP4K1 (0.65) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL22858774 0.87 MAP4K1 (0.72) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL29608985 0.87 MAP4K1 (0.72) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL22922401 0.86 MAP4K1 (0.63) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL22922398 0.86 MAP4K1 (0.63) MAP4K1MAP3K11JAK2JAK1TYK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed