SCHEMBL21592829

SCHEMBL21592829

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCC(O)CC5)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 10/20 0.56
IL2 P60568 4/20 0.56
MAP3K11 Q16584 6/20 0.55
KIT P10721 2/20 0.50
TNIK Q9UKE5 1/20 0.50
DYRK1A Q13627 1/20 0.48
WDR5 P61964 1/20 0.48
KMT2A Q03164 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
SCHEMBL21592687 0.91 KIT (0.62) MAP4K1IL2MAP3K11KITTNIK
SCHEMBL21592833 0.90 MAP4K1 (0.52) MAP4K1IL2MAP3K11KITTNIK
SCHEMBL21592726 0.88 MAP4K1 (0.65) MAP4K1IL2MAP3K11KITTNIK
SCHEMBL21592692 0.86 MAP4K1 (0.53) MAP4K1IL2MAP3K11KITTNIK
SCHEMBL21592858 0.86 MAP4K1 (0.60) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL21592558 0.86 MAP3K11 (0.63) MAP4K1IL2MAP3K11TNIKDYRK1A
SCHEMBL21592938 0.86 MAP4K1 (0.63) MAP4K1IL2MAP3K11TNIKDYRK1A
SCHEMBL21593032 0.86 MAP4K1 (0.63) MAP4K1IL2MAP3K11TNIKDYRK1A
SCHEMBL21593033 0.86 MAP4K1 (0.63) MAP4K1IL2MAP3K11TNIKDYRK1A
SCHEMBL21592637 0.85 MAP4K1 (0.59) MAP4K1IL2MAP3K11KITTNIK

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