SCHEMBL21592915

SCHEMBL21592915

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CCN(C)C)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 13/20 0.54
IL2 P60568 4/20 0.54
MAP3K11 Q16584 3/20 0.51
TNIK Q9UKE5 1/20 0.48
DYRK1A Q13627 2/20 0.46
KIT P10721 1/20 0.46
AAK1 Q2M2I8 1/20 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
SCHEMBL21592728 0.92 MAP4K1 (0.55) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592637 0.90 MAP4K1 (0.59) MAP4K1IL2MAP3K11TNIKDYRK1A
SCHEMBL21592988 0.87 MAP3K11 (0.49) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592623 0.86 MAP4K1 (0.60) MAP4K1IL2MAP3K11TNIKDYRK1A
SCHEMBL21592547 0.86 MAP4K1 (0.48) MAP4K1IL2MAP3K11TNIKDYRK1A
Hydrochloric Acid SCHEMBL28503256 0.86 MAP4K1 (0.59) MAP4K1IL2MAP3K11TNIKDYRK1A
SCHEMBL21592685 0.85 MAP3K11 (0.47) MAP4K1MAP3K11TNIK
SCHEMBL21592799 0.85 MAP4K1 (0.60) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592521 0.84 MAP4K1 (0.60) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592850 0.84 MAP4K1 (0.58) MAP4K1IL2MAP3K11TNIK

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