SCHEMBL21592653

SCHEMBL21592653

CN(C)CCNC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)nc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.72
PRKD1 Q15139 3/20 0.55
CHEK1 O14757 4/20 0.46
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44
FYN P06241 5/20 0.43

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
SCHEMBL21592495 0.89 MAP4K1 (0.63) MAP4K1PRKD1CLK1DYRK1AJAK2
SCHEMBL21592624 0.87 MAP4K1 (0.83) MAP4K1PRKD1CHEK1CLK1DYRK1A
SCHEMBL21592494 0.86 MAP4K1 (0.81) MAP4K1PRKD1CHEK1CLK1DYRK1A
SCHEMBL21592435 0.85 MAP4K1 (0.77) MAP4K1CHEK1CLK1DYRK1AFYN
SCHEMBL21592544 0.85 MAP4K1 (0.67) MAP4K1PRKD1CHEK1CLK1DYRK1A
SCHEMBL21592551 0.84 MAP4K1 (0.56) MAP4K1PRKD1CLK1DYRK1A
SCHEMBL28509578 0.84 MAP4K1 (0.70) MAP4K1CHEK1CLK1DYRK1A
SCHEMBL21592714 0.84 MAP4K1 (1.00) MAP4K1PRKD1CHEK1CLK1DYRK1A
SCHEMBL21592471 0.83 MAP4K1 (0.65) MAP4K1PRKD1CHEK1CLK1DYRK1A
SCHEMBL28514863 0.83 MAP4K1 (0.74) MAP4K1CHEK1CLK1DYRK1A

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