SCHEMBL21592747

SCHEMBL21592747

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CCN(C)C)cc4)c3n2)cc(OC)c1N1CCN(C)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 11/20 0.68
SYK P43405 2/20 0.41
IL2 P60568 3/20 0.40
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 1/20 0.38
IGF1R P08069 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
ATR Q13535 1/20 0.38
MAP3K11 Q16584 1/20 0.37

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
SCHEMBL21592724 0.90 MAP4K1 (0.67) MAP4K1MAPK1JAK2JAK1TYK2
SCHEMBL21592624 0.86 MAP4K1 (0.83) MAP4K1MAPK1PIK3CAMTORPIK3CG
SCHEMBL21592728 0.86 MAP4K1 (0.55) MAP4K1IL2MAP3K11
SCHEMBL21592649 0.85 MAP4K1 (0.65) MAP4K1SYKMAPK1JAK2JAK1
SCHEMBL21592699 0.83 MAP4K1 (0.58) MAP4K1MAPK1JAK2JAK1TYK2
SCHEMBL21592965 0.83 MAP4K1 (0.58) MAP4K1MAPK1PIK3CAMTORPIK3CG
SCHEMBL21592732 0.82 MAP4K1 (0.64) MAP4K1MAPK1JAK2JAK1TYK2
SCHEMBL21592494 0.82 MAP4K1 (0.81) MAP4K1MAPK1ATR
SCHEMBL21592714 0.81 MAP4K1 (1.00) MAP4K1IL2AXLMERTKMAPK1
SCHEMBL21592719 0.80 MAP4K1 (0.63) MAP4K1AXLMERTKMAPK1JAK2

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