SCHEMBL21592445

SCHEMBL21592445

COc1ccc(-c2c[nH]c3ncc(-c4cnc(N5CCN(C)CC5)nc4)cc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.78
IL2 P60568 4/20 0.78
MAP3K11 Q16584 1/20 0.70
DYRK1A Q13627 2/20 0.61
KIT P10721 3/20 0.58
TNIK Q9UKE5 3/20 0.54

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
SCHEMBL21592574 0.89 MAP4K1 (0.78) MAP4K1IL2MAP3K11DYRK1AKIT
SCHEMBL21592600 0.86 MAP3K11 (0.66) MAP4K1IL2MAP3K11DYRK1AKIT
SCHEMBL15833785 0.83 KIT (0.81) MAP3K11DYRK1AKITTNIK
SCHEMBL12066038 0.82 MAP3K11 (1.00) MAP4K1MAP3K11TNIK
SCHEMBL21592636 0.81 MAP4K1 (0.63) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592616 0.80 MAP4K1 (0.65) MAP4K1IL2MAP3K11DYRK1AKIT
SCHEMBL21592663 0.80 DYRK1A (0.66) MAP3K11DYRK1AKIT
SCHEMBL21592491 0.80 MAP4K1 (0.75) MAP4K1IL2MAP3K11KITTNIK
SCHEMBL28502370 0.79 MAP4K1 (0.63) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592585 0.79 MAP4K1 (0.69) MAP4K1IL2MAP3K11TNIK

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