SCHEMBL21593065

SCHEMBL21593065

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(-c6ccn(C)n6)cc5)c4n3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.68
MAPK1 P28482 11/20 0.51
IL2 P60568 1/20 0.45
RPS6KA3 P51812 3/20 0.43
CHEK1 O14757 2/20 0.42
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
SCHEMBL28504546 0.87 MAP4K1 (0.70) MAP4K1MAPK1IL2RPS6KA3CHEK1
SCHEMBL21592460 0.87 MAP4K1 (0.67) MAP4K1MAPK1IL2RPS6KA3CHEK1
SCHEMBL21592513 0.86 MAPK1 (0.69) MAP4K1MAPK1IL2CHEK1
SCHEMBL28509493 0.86 MAP4K1 (0.69) MAP4K1MAPK1IL2RPS6KA3CHEK1
SCHEMBL21592496 0.85 MAP4K1 (0.68) MAP4K1MAPK1IL2RPS6KA3
SCHEMBL21592474 0.85 MAP4K1 (0.77) MAP4K1MAPK1IL2RPS6KA3
SCHEMBL21592718 0.84 MAP4K1 (0.67) MAP4K1MAPK1IL2CLK1DYRK1A
SCHEMBL21592573 0.84 MAP4K1 (0.66) MAP4K1MAPK1IL2RPS6KA3CLK1
SCHEMBL21592478 0.84 MAP4K1 (0.66) MAP4K1MAPK1IL2CHEK1
SCHEMBL21592648 0.84 MAP4K1 (0.66) MAP4K1MAPK1IL2RPS6KA3CHEK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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