SCHEMBL21592571

SCHEMBL21592571

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.62
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
PTK2 Q05397 1/20 0.49
AXL P30530 4/20 0.45
MERTK Q12866 4/20 0.45
MAPK1 P28482 4/20 0.45
CHEK1 O14757 4/20 0.42
IL2 P60568 1/20 0.42
PIK3CA P42336 1/20 0.40
ATR Q13535 1/20 0.40
RPS6KA3 P51812 1/20 0.40

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
SCHEMBL21592478 0.89 MAP4K1 (0.66) MAP4K1JAK2JAK3PTK2MAPK1
SCHEMBL21592750 0.87 MAP4K1 (0.62) MAP4K1JAK3MAPK1CHEK1IL2
SCHEMBL21592496 0.85 MAP4K1 (0.68) MAP4K1MAPK1IL2RPS6KA3
SCHEMBL21592642 0.84 MAP4K1 (0.64) MAP4K1JAK2JAK3PTK2MAPK1
SCHEMBL28504546 0.83 MAP4K1 (0.70) MAP4K1MAPK1CHEK1IL2RPS6KA3
SCHEMBL21592435 0.83 MAP4K1 (0.77) MAP4K1AXLMERTKMAPK1CHEK1
SCHEMBL21592437 0.83 MAP4K1 (0.65) MAP4K1MAPK1IL2RPS6KA3
SCHEMBL28509493 0.82 MAP4K1 (0.69) MAP4K1MAPK1CHEK1IL2RPS6KA3
SCHEMBL21592806 0.82 MAP4K1 (0.63) MAP4K1JAK2JAK3PTK2IL2
SCHEMBL28509578 0.82 MAP4K1 (0.70) MAP4K1MAPK1CHEK1IL2

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