SCHEMBL28906168

SCHEMBL28906168

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.56
MAP3K11 Q16584 3/20 0.53
TNIK Q9UKE5 6/20 0.51
IL2 P60568 3/20 0.49
CAMKK2 Q96RR4 2/20 0.47
PIK3CG P48736 1/20 0.46
SGK1 O00141 1/20 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
SCHEMBL21592809 0.91 MAP4K1 (0.57) MAP4K1MAP3K11TNIKIL2
SCHEMBL28517248 0.86 MAP4K1 (0.64) MAP4K1MAP3K11TNIKIL2CAMKK2
SCHEMBL21592695 0.86 MAP4K1 (0.56) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592832 0.85 MAP3K11 (0.54) MAP4K1MAP3K11TNIKIL2
SCHEMBL28499799 0.85 SGK1 (0.63) MAP4K1MAP3K11TNIKIL2CAMKK2
SCHEMBL28507129 0.84 TNIK (0.59) MAP4K1MAP3K11TNIKIL2SGK1
SCHEMBL21592846 0.84 MAP3K11 (0.53) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592774 0.83 MAP4K1 (0.71) MAP4K1MAP3K11TNIKIL2CAMKK2
SCHEMBL21592939 0.83 MAP4K1 (0.56) MAP4K1MAP3K11TNIKIL2CAMKK2
SCHEMBL28513938 0.82 MAP4K1 (0.56) MAP4K1MAP3K11TNIKIL2

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