SCHEMBL21592497

SCHEMBL21592497

CC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 3/20 0.68
MAP4K1 Q92918 7/20 0.66
IL2 P60568 4/20 0.66
MAP3K11 Q16584 3/20 0.62
CLK1 P49759 1/20 0.57
DYRK1A Q13627 1/20 0.57
AXL P30530 2/20 0.55
CAMKK2 Q96RR4 2/20 0.55
TNIK Q9UKE5 4/20 0.55
CHEK1 O14757 1/20 0.54

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
SCHEMBL28504766 0.92 AXL (0.67) SGK1MAP4K1IL2MAP3K11CLK1
SCHEMBL21592426 0.90 MAP3K11 (0.71) SGK1MAP4K1IL2MAP3K11CLK1
SCHEMBL21592602 0.90 MAP4K1 (0.64) SGK1MAP4K1IL2MAP3K11CLK1
SCHEMBL28511277 0.90 MAP4K1 (0.69) SGK1MAP4K1IL2MAP3K11CLK1
SCHEMBL21592524 0.89 MAP4K1 (0.63) SGK1MAP4K1IL2MAP3K11CLK1
SCHEMBL21592464 0.89 TNIK (0.64) SGK1MAP4K1IL2MAP3K11CLK1
SCHEMBL21592465 0.88 MAP3K11 (0.66) SGK1MAP4K1IL2MAP3K11CLK1
SCHEMBL21592545 0.88 MAP3K11 (0.66) SGK1MAP4K1IL2MAP3K11CLK1
SCHEMBL21592534 0.88 CLK1 (0.69) SGK1MAP4K1IL2MAP3K11CLK1
SCHEMBL21592498 0.88 MAP3K11 (0.65) SGK1MAP4K1IL2MAP3K11CLK1

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