SCHEMBL21592467

SCHEMBL21592467

CN(C)CCN1CCN(C(=O)c2ccc(-c3c[nH]c4ncc(-c5ccc(N6CCN(C)CC6)cc5)cc34)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 5/20 0.60
MAP4K1 Q92918 5/20 0.56
TNIK Q9UKE5 8/20 0.54
IL2 P60568 1/20 0.54
IGF1R P08069 1/20 0.49
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48

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
SCHEMBL21592426 0.91 MAP3K11 (0.71) MAP3K11MAP4K1TNIKIL2IGF1R
SCHEMBL21592545 0.87 MAP3K11 (0.66) MAP3K11MAP4K1TNIKIL2IGF1R
SCHEMBL21592465 0.87 MAP3K11 (0.66) MAP3K11MAP4K1TNIKIL2IGF1R
SCHEMBL21592500 0.87 MAP3K11 (0.60) MAP3K11MAP4K1TNIKIL2IGF1R
SCHEMBL21592469 0.87 MAP4K1 (0.63) MAP3K11MAP4K1TNIKIL2IGF1R
SCHEMBL21592558 0.87 MAP3K11 (0.63) MAP3K11MAP4K1TNIKIL2IGF1R
SCHEMBL21592498 0.86 MAP3K11 (0.65) MAP3K11MAP4K1TNIKIL2IGF1R
SCHEMBL21592572 0.86 MAP3K11 (0.64) MAP3K11MAP4K1TNIKIL2IGF1R
SCHEMBL21592623 0.85 MAP4K1 (0.60) MAP3K11MAP4K1TNIKIL2CLK1
SCHEMBL21592544 0.85 MAP4K1 (0.67) MAP3K11MAP4K1CLK1DYRK1A

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