SCHEMBL21592697

SCHEMBL21592697

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5cnc(C(=O)N(C)C)nc5)c4n3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.66
MAPK1 P28482 8/20 0.45
CHEK1 O14757 4/20 0.44
TNIK Q9UKE5 1/20 0.44
IL2 P60568 1/20 0.43
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL21592698 0.91 MAP4K1 (0.66) MAP4K1MAPK1CHEK1TNIKIL2
SCHEMBL21592435 0.90 MAP4K1 (0.77) MAP4K1MAPK1CHEK1TNIKCLK1
SCHEMBL21592730 0.84 MAP4K1 (0.65) MAP4K1MAPK1CHEK1CLK1DYRK1A
SCHEMBL21592485 0.84 MAP4K1 (0.71) MAP4K1MAPK1CHEK1IL2CLK1
SCHEMBL21592742 0.84 MAP4K1 (0.64) MAP4K1MAPK1CHEK1IL2CLK1
SCHEMBL21592593 0.83 MAP4K1 (0.61) MAP4K1CHEK1TNIKIL2CLK1
SCHEMBL21592540 0.83 MAP4K1 (0.63) MAP4K1CHEK1TNIKIL2CLK1
SCHEMBL28509578 0.83 MAP4K1 (0.70) MAP4K1MAPK1CHEK1IL2CLK1
SCHEMBL21592496 0.82 MAP4K1 (0.68) MAP4K1MAPK1IL2
SCHEMBL28514863 0.82 MAP4K1 (0.74) MAP4K1MAPK1CHEK1IL2CLK1

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