SCHEMBL28517248

SCHEMBL28517248

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.64
CAMKK2 Q96RR4 5/20 0.61
AXL P30530 3/20 0.61
SGK1 O00141 3/20 0.61
PIK3CG P48736 1/20 0.57
MAP3K11 Q16584 3/20 0.57
TNIK Q9UKE5 2/20 0.52
IL2 P60568 3/20 0.51

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
SCHEMBL21590256 0.91 AXL (0.64) MAP4K1CAMKK2AXLSGK1PIK3CG
SCHEMBL21592774 0.91 MAP4K1 (0.71) MAP4K1CAMKK2AXLSGK1MAP3K11
SCHEMBL28499799 0.91 SGK1 (0.63) MAP4K1CAMKK2AXLSGK1MAP3K11
SCHEMBL21592566 0.90 MAP4K1 (0.65) MAP4K1CAMKK2AXLSGK1PIK3CG
SCHEMBL28502252 0.90 MAP4K1 (0.65) MAP4K1CAMKK2AXLSGK1PIK3CG
SCHEMBL21592744 0.88 MAP4K1 (0.66) MAP4K1CAMKK2AXLSGK1PIK3CG
SCHEMBL21592741 0.87 MAP4K1 (0.61) MAP4K1CAMKK2AXLSGK1PIK3CG
SCHEMBL21592651 0.87 MAP4K1 (0.67) MAP4K1CAMKK2SGK1MAP3K11TNIK
SCHEMBL21592684 0.87 MAP4K1 (0.69) MAP4K1CAMKK2AXLSGK1PIK3CG
SCHEMBL28504766 0.87 AXL (0.67) MAP4K1CAMKK2AXLSGK1MAP3K11

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
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