SCHEMBL21592801

SCHEMBL21592801

COc1cc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN(C)C5=O)c3c2)ccc1C1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.61
IL2 P60568 7/20 0.61
KIT P10721 9/20 0.51
DYRK1A Q13627 2/20 0.51
NTRK1 P04629 1/20 0.47
AAK1 Q2M2I8 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
SCHEMBL21592800 0.89 MAP4K1 (0.51) MAP4K1IL2
SCHEMBL21592958 0.89 MAP4K1 (0.60) MAP4K1IL2KITDYRK1A
SCHEMBL21593002 0.86 MAP4K1 (0.66) MAP4K1IL2NTRK1
SCHEMBL21592999 0.85 MAP4K1 (0.60) MAP4K1IL2KITDYRK1AAAK1
SCHEMBL28510042 0.82 MAP4K1 (0.66) MAP4K1IL2KITDYRK1ANTRK1
SCHEMBL28597640 0.80 PAK1 (0.56) MAP4K1IL2NTRK1
SCHEMBL21592976 0.80 MAP4K1 (0.60) MAP4K1IL2KITDYRK1AAAK1
SCHEMBL21593028 0.79 MAP4K1 (0.59) MAP4K1IL2KITDYRK1AAAK1
SCHEMBL21592802 0.78 MAP4K1 (0.49) MAP4K1IL2KIT
SCHEMBL21592962 0.77 MAP4K1 (0.62) MAP4K1IL2KITDYRK1ANTRK1

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