SCHEMBL21592999

SCHEMBL21592999

COc1cc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN(C)C5=O)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 13/20 0.60
IL2 P60568 7/20 0.60
KIT P10721 5/20 0.52
DYRK1A Q13627 2/20 0.52
AAK1 Q2M2I8 1/20 0.47

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
SCHEMBL21593048 0.89 MAP4K1 (0.57) MAP4K1IL2
SCHEMBL21593019 0.88 MAP4K1 (0.49) MAP4K1IL2DYRK1A
SCHEMBL21593018 0.87 TNIK (0.48) MAP4K1IL2DYRK1A
SCHEMBL21592801 0.85 MAP4K1 (0.61) MAP4K1IL2KITDYRK1AAAK1
SCHEMBL21592993 0.83 MAP4K1 (0.51) MAP4K1IL2
SCHEMBL28597640 0.82 PAK1 (0.56) MAP4K1IL2
SCHEMBL21593051 0.80 MAP4K1 (0.52) MAP4K1
SCHEMBL28513753 0.80 MAP4K1 (0.62) MAP4K1IL2KITDYRK1AAAK1
SCHEMBL21592786 0.80 MAP4K1 (0.62) MAP4K1IL2
SCHEMBL21592637 0.79 MAP4K1 (0.59) MAP4K1IL2KITDYRK1AAAK1

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 2 patents. 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
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