SCHEMBL21592452

SCHEMBL21592452

COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1Cl

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 15/20 0.84
IL2 P60568 6/20 0.84
LCK P06239 1/20 0.65
MAP4K3 Q8IVH8 1/20 0.65
KIT P10721 4/20 0.60
DYRK1A Q13627 1/20 0.57
MAP3K11 Q16584 1/20 0.57

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
SCHEMBL21592759 0.85 MAP4K1 (0.79) MAP4K1IL2KITMAP3K11
SCHEMBL21592574 0.85 MAP4K1 (0.78) MAP4K1IL2LCKMAP4K3KIT
SCHEMBL21592466 0.85 MAP4K1 (0.78) MAP4K1IL2LCKMAP4K3MAP3K11
SCHEMBL21592477 0.85 TNIK (0.74) MAP4K1IL2KITMAP3K11
SCHEMBL28667483 0.83 MAP4K1 (0.72) MAP4K1IL2LCKMAP4K3
SCHEMBL21592491 0.83 MAP4K1 (0.75) MAP4K1IL2KITMAP3K11
SCHEMBL30290600 0.83 MAP4K1 (0.72) MAP4K1IL2LCKMAP4K3
Hydrochloric Acid SCHEMBL28905282 0.83 MAP4K1 (0.74) MAP4K1IL2KITMAP3K11
SCHEMBL29253556 0.82 MAP4K1 (0.73) MAP4K1IL2LCKMAP3K11
SCHEMBL21592423 0.81 MAP4K1 (0.72) MAP4K1IL2KITDYRK1AMAP3K11

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