SCHEMBL21592853

SCHEMBL21592853

COc1cc(-c2cnc3[nH]cc(-c4ccc(-n5nncc5C)cc4)c3c2)cc(OC)c1N1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.64
IL2 P60568 7/20 0.64
MAP3K11 Q16584 2/20 0.49
KIT P10721 3/20 0.48
DYRK1A Q13627 2/20 0.48
AAK1 Q2M2I8 1/20 0.48
SLC2A1 P11166 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
SCHEMBL21592857 0.86 MAP4K1 (0.66) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL28605040 0.85 MAP4K1 (0.53) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL21592835 0.83 MAP4K1 (0.60) MAP4K1IL2MAP3K11
SCHEMBL21592580 0.82 MAP4K1 (0.51) MAP4K1IL2MAP3K11DYRK1A
SCHEMBL21592682 0.79 MAP4K1 (0.60) MAP4K1IL2MAP3K11
SCHEMBL28503252 0.78 MAP4K1 (0.59) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL21592759 0.77 MAP4K1 (0.79) MAP4K1IL2MAP3K11KITAAK1
SCHEMBL21592707 0.76 MAP4K1 (0.58) MAP4K1IL2MAP3K11
SCHEMBL21592574 0.76 MAP4K1 (0.78) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL21592423 0.75 MAP4K1 (0.72) MAP4K1IL2MAP3K11KITDYRK1A

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