SCHEMBL21592730

SCHEMBL21592730

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(NC(=O)N(C)C)cc5)c4n3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.65
CLK1 P49759 3/20 0.47
DYRK1A Q13627 3/20 0.47
JAK2 O60674 1/20 0.46
MAPK1 P28482 4/20 0.46
LCK P06239 1/20 0.44
HCK P08631 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
CHEK1 O14757 4/20 0.43
JAK3 P52333 1/20 0.42

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
SCHEMBL21592722 0.89 MAP4K1 (0.64) MAP4K1CLK1DYRK1AJAK2MAPK1
SCHEMBL21592729 0.88 MAP4K1 (0.61) MAP4K1CLK1DYRK1AJAK2MAPK1
SCHEMBL21592435 0.87 MAP4K1 (0.77) MAP4K1CLK1DYRK1AMAPK1CHEK1
SCHEMBL21592471 0.87 MAP4K1 (0.65) MAP4K1CLK1DYRK1AJAK2MAPK1
SCHEMBL21592495 0.86 MAP4K1 (0.63) MAP4K1CLK1DYRK1AJAK2LCK
SCHEMBL21592693 0.85 MAP4K1 (0.64) MAP4K1CLK1DYRK1AMAPK1CHEK1
SCHEMBL21592698 0.84 MAP4K1 (0.66) MAP4K1CLK1DYRK1AMAPK1CHEK1
SCHEMBL21592697 0.84 MAP4K1 (0.66) MAP4K1CLK1DYRK1AMAPK1CHEK1
SCHEMBL28509578 0.84 MAP4K1 (0.70) MAP4K1CLK1DYRK1AMAPK1CHEK1
SCHEMBL21592496 0.84 MAP4K1 (0.68) MAP4K1MAPK1

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