SCHEMBL21592845

SCHEMBL21592845

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C[C@@H](C)O)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.68
MAP3K11 Q16584 3/20 0.50
TNIK Q9UKE5 5/20 0.49
PIK3CG P48736 3/20 0.44
IL2 P60568 2/20 0.43

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
SCHEMBL21592633 1.00 MAP4K1 (0.68) MAP4K1MAP3K11TNIKPIK3CGIL2
SCHEMBL21592634 1.00 MAP4K1 (0.68) MAP4K1MAP3K11TNIKPIK3CGIL2
SCHEMBL21592940 0.94 MAP4K1 (0.61) MAP4K1MAP3K11TNIKPIK3CG
SCHEMBL21592906 0.91 MAP4K1 (0.75) MAP4K1MAP3K11TNIKPIK3CGIL2
SCHEMBL21592913 0.91 MAP4K1 (0.75) MAP4K1MAP3K11TNIKPIK3CGIL2
SCHEMBL21592850 0.90 MAP4K1 (0.58) MAP4K1MAP3K11TNIKIL2
SCHEMBL21593034 0.89 MAP4K1 (0.61) MAP4K1MAP3K11TNIKPIK3CGIL2
SCHEMBL21592647 0.89 MAP4K1 (0.62) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592877 0.88 MAP4K1 (0.57) MAP4K1MAP3K11TNIK
SCHEMBL22922481 0.88 MAP4K1 (0.70) MAP4K1MAP3K11TNIKPIK3CGIL2

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