SCHEMBL21592872

SCHEMBL21592872

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)C5CN(C)C5)cc4)c3c2)ccc1C1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.54
MAP3K11 Q16584 5/20 0.49
IL2 P60568 1/20 0.49
PIK3CG P48736 2/20 0.47
CAMKK2 Q96RR4 3/20 0.46
SGK1 O00141 2/20 0.46
TNIK Q9UKE5 3/20 0.45
AXL P30530 3/20 0.45

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
SCHEMBL28501993 0.91 MAP3K11 (0.49) MAP4K1MAP3K11IL2CAMKK2SGK1
SCHEMBL21593028 0.89 MAP4K1 (0.59) MAP4K1MAP3K11IL2CAMKK2SGK1
SCHEMBL21592808 0.88 MAP4K1 (0.60) MAP4K1MAP3K11IL2PIK3CGCAMKK2
SCHEMBL21593027 0.87 MAP4K1 (0.59) MAP4K1MAP3K11IL2PIK3CGCAMKK2
SCHEMBL21593006 0.86 MAP4K1 (0.73) MAP4K1MAP3K11IL2PIK3CGCAMKK2
SCHEMBL21592953 0.85 MAP4K1 (0.54) MAP4K1MAP3K11IL2PIK3CGCAMKK2
SCHEMBL21592744 0.84 MAP4K1 (0.66) MAP4K1MAP3K11IL2PIK3CGCAMKK2
SCHEMBL28499856 0.83 MAP4K1 (0.54) MAP4K1MAP3K11IL2PIK3CGTNIK
SCHEMBL28600335 0.80 MAP4K1 (0.61) MAP4K1MAP3K11IL2PIK3CGSGK1
SCHEMBL21593007 0.79 MAP4K1 (0.54) MAP4K1MAP3K11PIK3CGCAMKK2SGK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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