SCHEMBL21592583

SCHEMBL21592583

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(OCC6CC6)cc5)c4c3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 11/20 0.65
IL2 P60568 6/20 0.65
MAP3K11 Q16584 2/20 0.58
TNIK Q9UKE5 5/20 0.54
CHEK1 O14757 1/20 0.49

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
SCHEMBL21592585 0.88 MAP4K1 (0.69) MAP4K1IL2MAP3K11TNIK
Hydrochloric Acid SCHEMBL28511021 0.87 MAP4K1 (0.68) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592574 0.86 MAP4K1 (0.78) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592643 0.86 MAP4K1 (0.66) MAP4K1IL2MAP3K11TNIK
Hydrochloric Acid SCHEMBL28507578 0.85 MAP4K1 (0.65) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592561 0.85 MAP4K1 (0.65) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592463 0.84 MAP4K1 (0.66) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592562 0.84 MAP4K1 (0.64) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592492 0.83 MAP4K1 (0.68) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592450 0.83 MAP4K1 (0.72) MAP4K1IL2TNIK

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