SCHEMBL21593049

SCHEMBL21593049

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CC5CCOC5)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.57
MAP3K11 Q16584 3/20 0.46
TNIK Q9UKE5 5/20 0.45
PIK3CG P48736 3/20 0.41
DYRK1B Q9Y463 1/20 0.40
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL22922565 0.89 MAP4K1 (0.56) MAP4K1MAP3K11TNIKPIK3CGDYRK1B
SCHEMBL21593053 0.88 MAP4K1 (0.58) MAP4K1MAP3K11TNIKPIK3CGAAK1
SCHEMBL21592873 0.87 MAP4K1 (0.59) MAP4K1MAP3K11TNIKPIK3CG
SCHEMBL28597585 0.85 MAP4K1 (0.55) MAP4K1MAP3K11TNIKPIK3CG
SCHEMBL28591609 0.85 MAP4K1 (0.55) MAP4K1MAP3K11TNIKPIK3CG
SCHEMBL28591607 0.85 MAP4K1 (0.55) MAP4K1MAP3K11TNIKPIK3CG
SCHEMBL21592850 0.85 MAP4K1 (0.58) MAP4K1MAP3K11TNIK
SCHEMBL21592762 0.84 MAP4K1 (0.64) MAP4K1MAP3K11TNIKPIK3CG
SCHEMBL29869055 0.84 MAP4K1 (0.77) MAP4K1MAP3K11TNIKPIK3CGDYRK1B
SCHEMBL29869158 0.84 MAP4K1 (0.77) MAP4K1MAP3K11TNIKPIK3CGDYRK1B

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