SCHEMBL21592895

SCHEMBL21592895

C=C(c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)c(C)c4)cc23)cc1-c1ccccc1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.57
CAMKK2 Q96RR4 3/20 0.51
TNIK Q9UKE5 5/20 0.51
IL2 P60568 3/20 0.46
SGK1 O00141 2/20 0.44
AXL P30530 2/20 0.44
CDK8 P49336 1/20 0.44
MAP3K11 Q16584 1/20 0.44
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL21592893 0.91 MAP4K1 (0.57) MAP4K1CAMKK2TNIKSGK1AXL
SCHEMBL21592621 0.87 MAP4K1 (0.57) MAP4K1CAMKK2TNIKIL2MAP3K11
SCHEMBL21592622 0.83 MAP4K1 (0.59) MAP4K1CAMKK2TNIKIL2MAP3K11
SCHEMBL21592647 0.81 MAP4K1 (0.62) MAP4K1CAMKK2TNIKIL2SGK1
SCHEMBL21592874 0.80 MAP4K1 (0.58) MAP4K1CAMKK2TNIKSGK1AXL
Formamide SCHEMBL28510973 0.80 MAP4K1 (0.57) MAP4K1CAMKK2TNIKIL2SGK1
SCHEMBL28502252 0.80 MAP4K1 (0.65) MAP4K1CAMKK2TNIKIL2SGK1
SCHEMBL21592934 0.79 MAP4K1 (0.58) MAP4K1CAMKK2TNIKIL2
SCHEMBL21592631 0.79 MAP4K1 (0.57) MAP4K1CAMKK2TNIKIL2MAP3K11
SCHEMBL21592757 0.79 MAP4K1 (0.54) MAP4K1CAMKK2TNIKIL2MAP3K11

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