SCHEMBL21592495

SCHEMBL21592495

CN(C)CCNC(=O)Nc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)nc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.63
ATM Q13315 9/20 0.47
PRKD1 Q15139 1/20 0.46
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
LCK P06239 1/20 0.42
HCK P08631 1/20 0.42
SRC P12931 1/20 0.42
JAK3 P52333 1/20 0.42
JAK2 O60674 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 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
SCHEMBL21592471 0.89 MAP4K1 (0.65) MAP4K1PRKD1CLK1DYRK1AKDR
SCHEMBL21592653 0.89 MAP4K1 (0.72) MAP4K1PRKD1CLK1DYRK1AJAK3
SCHEMBL21592722 0.87 MAP4K1 (0.64) MAP4K1CLK1DYRK1AKDRLCK
SCHEMBL21592729 0.86 MAP4K1 (0.61) MAP4K1CLK1DYRK1AKDRFLT3
SCHEMBL21592730 0.86 MAP4K1 (0.65) MAP4K1CLK1DYRK1AKDRLCK
SCHEMBL21592488 0.85 MAP4K1 (0.55) MAP4K1ATMCLK1DYRK1A
SCHEMBL21592624 0.83 MAP4K1 (0.83) MAP4K1PRKD1CLK1DYRK1APIK3CA
SCHEMBL21592494 0.81 MAP4K1 (0.81) MAP4K1PRKD1CLK1DYRK1A
SCHEMBL21592575 0.81 MAP4K1 (0.67) MAP4K1CLK1DYRK1AJAK3JAK2
SCHEMBL21592437 0.80 MAP4K1 (0.65) MAP4K1CLK1DYRK1A

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