SCHEMBL21592573

SCHEMBL21592573

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(-c6ccccc6F)cc5)c4n3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.66
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
MAPK1 P28482 6/20 0.47
RPS6KA3 P51812 4/20 0.46
CLK1 P49759 2/20 0.44
DYRK1A Q13627 2/20 0.44
IL2 P60568 1/20 0.43
RPS6KB1 P23443 1/20 0.43
FLT3 P36888 1/20 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
SCHEMBL21592718 0.89 MAP4K1 (0.67) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL21592660 0.86 MAP4K1 (0.78) MAP4K1JAK2JAK3MAPK1CLK1
SCHEMBL28504546 0.85 MAP4K1 (0.70) MAP4K1MAPK1RPS6KA3IL2
SCHEMBL28509493 0.85 MAP4K1 (0.69) MAP4K1MAPK1RPS6KA3IL2
SCHEMBL21593065 0.84 MAP4K1 (0.68) MAP4K1MAPK1RPS6KA3CLK1DYRK1A
SCHEMBL21592496 0.84 MAP4K1 (0.68) MAP4K1MAPK1RPS6KA3IL2
SCHEMBL21592474 0.84 MAP4K1 (0.77) MAP4K1MAPK1RPS6KA3IL2
SCHEMBL21592460 0.83 MAP4K1 (0.67) MAP4K1MAPK1RPS6KA3IL2
SCHEMBL21592513 0.82 MAPK1 (0.69) MAP4K1JAK3MAPK1IL2
SCHEMBL21592648 0.82 MAP4K1 (0.66) MAP4K1MAPK1RPS6KA3CLK1DYRK1A

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