SCHEMBL21592945

SCHEMBL21592945

CN1CCC(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(O)N(C)C)cc5)c4c3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.57
IL2 P60568 3/20 0.57
TNIK Q9UKE5 5/20 0.45
CLK1 P49759 2/20 0.45
DYRK1A Q13627 2/20 0.45
DYRK2 Q92630 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
MAP3K11 Q16584 3/20 0.44
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
AXL P30530 1/20 0.42
CDK8 P49336 1/20 0.42
NTRK1 P04629 1/20 0.41

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
SCHEMBL21592947 0.84 MAP4K1 (0.57) MAP4K1IL2TNIKMAP3K11PRKAB2
SCHEMBL21593015 0.79 TNIK (0.55) MAP4K1IL2TNIKMAP3K11AXL
SCHEMBL22922573 0.77 MAP4K1 (0.73) MAP4K1TNIKMAP3K11
SCHEMBL21592868 0.76 MAP4K1 (0.70) MAP4K1IL2TNIKMAP3K11AXL
SCHEMBL21593024 0.75 MAP4K1 (0.62) MAP4K1IL2TNIKMAP3K11AXL
SCHEMBL28510111 0.75 MAP4K1 (0.55) MAP4K1IL2CLK1DYRK1ADYRK2
SCHEMBL21592948 0.74 MAP4K1 (0.59) MAP4K1IL2TNIKMAP3K11AXL
SCHEMBL21592479 0.73 MAP4K1 (0.64) MAP4K1IL2TNIKCLK1DYRK1A
SCHEMBL29204307 0.72 MAP4K1 (0.64) MAP4K1IL2TNIKDYRK1ADYRK1B
SCHEMBL21592970 0.72 MAP4K1 (0.64) MAP4K1IL2TNIKCLK1DYRK1A

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