SCHEMBL21592775

SCHEMBL21592775

Cc1cc(C(=O)N(C)C)ccc1-c1c[nH]c2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.60
MAP4K1 Q92918 8/20 0.56
IL2 P60568 1/20 0.56
MAP3K11 Q16584 3/20 0.51
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
CHEK1 O14757 2/20 0.48
ABL1 P00519 1/20 0.47
FYN P06241 1/20 0.46
CYP3A4 P08684 1/20 0.46
HIF1A Q16665 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
RAD52 P43351 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
SCHEMBL21592482 0.90 TNIK (0.59) TNIKMAP4K1IL2MAP3K11CLK1
SCHEMBL21592464 0.90 TNIK (0.64) TNIKMAP4K1IL2MAP3K11CLK1
SCHEMBL28511324 0.89 TNIK (0.61) TNIKMAP4K1IL2MAP3K11CLK1
SCHEMBL21592540 0.86 MAP4K1 (0.63) TNIKMAP4K1IL2MAP3K11CLK1
SCHEMBL21592594 0.84 MAP4K1 (0.63) TNIKMAP4K1IL2MAP3K11CLK1
SCHEMBL21592768 0.84 TNIK (0.57) TNIKMAP4K1IL2MAP3K11CLK1
SCHEMBL21592566 0.82 MAP4K1 (0.65) TNIKMAP4K1IL2MAP3K11CYP3A4
SCHEMBL21592527 0.82 MAP4K1 (0.63) TNIKMAP4K1IL2MAP3K11CLK1
SCHEMBL21592760 0.81 MAP4K1 (0.59) TNIKMAP4K1IL2MAP3K11CLK1
SCHEMBL21592497 0.81 SGK1 (0.68) TNIKMAP4K1IL2MAP3K11CLK1

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