SCHEMBL21592948

SCHEMBL21592948

CN(C)CCN(C)C(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc(C5CCN(C)CC5)cc4)cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.59
IL2 P60568 2/20 0.59
MAP3K11 Q16584 4/20 0.53
TNIK Q9UKE5 5/20 0.51
SGK1 O00141 3/20 0.47
AXL P30530 2/20 0.46
CAMKK2 Q96RR4 2/20 0.46

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
SCHEMBL21592953 0.89 MAP4K1 (0.54) MAP4K1IL2MAP3K11TNIKSGK1
SCHEMBL21592623 0.86 MAP4K1 (0.60) MAP4K1IL2MAP3K11TNIKSGK1
Hydrochloric Acid SCHEMBL28503256 0.86 MAP4K1 (0.59) MAP4K1IL2MAP3K11TNIKSGK1
SCHEMBL21592947 0.84 MAP4K1 (0.57) MAP4K1IL2MAP3K11TNIKSGK1
SCHEMBL28597683 0.83 MAP4K1 (0.59) MAP4K1MAP3K11TNIKSGK1AXL
SCHEMBL28917806 0.83 MAP4K1 (0.58) MAP4K1MAP3K11TNIKSGK1AXL
SCHEMBL21592521 0.83 MAP4K1 (0.60) MAP4K1IL2MAP3K11TNIKSGK1
SCHEMBL26146035 0.82 MAP4K1 (0.52) MAP4K1IL2MAP3K11TNIKSGK1
SCHEMBL21592717 0.82 MAP4K1 (0.72) MAP4K1MAP3K11TNIKSGK1CAMKK2
SCHEMBL21592868 0.82 MAP4K1 (0.70) MAP4K1IL2MAP3K11TNIKSGK1

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