SCHEMBL21592482

SCHEMBL21592482

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C)cc5F)c4c3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 3/20 0.59
AXL P30530 1/20 0.55
MAP4K1 Q92918 6/20 0.55
IL2 P60568 1/20 0.55
CLK1 P49759 1/20 0.53
DYRK1A Q13627 1/20 0.53
MAP3K11 Q16584 2/20 0.50
RPS6KB1 P23443 1/20 0.48
FLT3 P36888 1/20 0.48
RPS6KA3 P51812 1/20 0.48
CHEK1 O14757 2/20 0.47
ABL1 P00519 2/20 0.46
ALK Q9UM73 1/20 0.46
FYN P06241 1/20 0.46

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
SCHEMBL21592768 0.90 TNIK (0.57) TNIKMAP4K1IL2CLK1DYRK1A
SCHEMBL21592775 0.90 TNIK (0.60) TNIKMAP4K1IL2CLK1DYRK1A
SCHEMBL21592464 0.89 TNIK (0.64) TNIKAXLMAP4K1IL2CLK1
SCHEMBL28511324 0.88 TNIK (0.61) TNIKAXLMAP4K1IL2CLK1
SCHEMBL21592540 0.86 MAP4K1 (0.63) TNIKMAP4K1IL2CLK1DYRK1A
SCHEMBL21592594 0.84 MAP4K1 (0.63) TNIKMAP4K1IL2CLK1DYRK1A
SCHEMBL21592733 0.82 TNIK (0.58) TNIKAXLMAP4K1IL2CLK1
SCHEMBL21592978 0.82 MAP4K1 (0.59) TNIKMAP4K1IL2CLK1DYRK1A
SCHEMBL21592483 0.81 MAP4K1 (0.64) TNIKMAP4K1IL2CLK1DYRK1A
SCHEMBL21592404 0.81 MAP4K1 (0.67) TNIKMAP4K1IL2MAP3K11RPS6KA3

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