SCHEMBL21592741

SCHEMBL21592741

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)C5CNC5)cc4)c3c2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.61
MAP3K11 Q16584 3/20 0.52
PIK3CG P48736 2/20 0.48
IL2 P60568 3/20 0.47
CAMKK2 Q96RR4 2/20 0.46
SGK1 O00141 2/20 0.46
TNIK Q9UKE5 5/20 0.46
AXL P30530 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
SCHEMBL21592744 0.92 MAP4K1 (0.66) MAP4K1MAP3K11PIK3CGIL2CAMKK2
SCHEMBL28517248 0.87 MAP4K1 (0.64) MAP4K1MAP3K11PIK3CGIL2CAMKK2
SCHEMBL28499799 0.86 SGK1 (0.63) MAP4K1MAP3K11IL2CAMKK2SGK1
SCHEMBL21592774 0.86 MAP4K1 (0.71) MAP4K1MAP3K11IL2CAMKK2SGK1
SCHEMBL28504410 0.85 MAP4K1 (0.58) MAP4K1MAP3K11PIK3CGIL2CAMKK2
SCHEMBL21592566 0.85 MAP4K1 (0.65) MAP4K1MAP3K11PIK3CGIL2CAMKK2
SCHEMBL21592684 0.84 MAP4K1 (0.69) MAP4K1MAP3K11PIK3CGIL2CAMKK2
SCHEMBL21592651 0.84 MAP4K1 (0.67) MAP4K1MAP3K11IL2CAMKK2SGK1
SCHEMBL21592822 0.84 MAP4K1 (0.71) MAP4K1MAP3K11PIK3CGIL2CAMKK2
SCHEMBL21592966 0.84 MAP4K1 (0.73) MAP4K1MAP3K11PIK3CGIL2CAMKK2

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