SCHEMBL21592899

SCHEMBL21592899

CN[C@H]1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C[C@@H](C)O)cc5)c4c3)cc2C)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.61
PIK3CG P48736 6/20 0.43
MAP3K11 Q16584 3/20 0.40
CAMKK2 Q96RR4 2/20 0.40
SGK1 O00141 2/20 0.39
TNIK Q9UKE5 1/20 0.39
AXL P30530 2/20 0.39

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
SCHEMBL28502163 1.00 MAP4K1 (0.61) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21592936 1.00 MAP4K1 (0.61) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21592998 0.90 MAP4K1 (0.53) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21593000 0.90 MAP4K1 (0.53) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21592820 0.90 MAP4K1 (0.53) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21592940 0.88 MAP4K1 (0.61) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21592845 0.87 MAP4K1 (0.68) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL21592634 0.87 MAP4K1 (0.68) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL21592633 0.87 MAP4K1 (0.68) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL21593039 0.85 MAP4K1 (0.52) MAP4K1PIK3CGMAP3K11CAMKK2SGK1

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