SCHEMBL28504203

SCHEMBL28504203

Cc1cc(-c2cnc3[nH]ccc3c2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 3/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ FLT3 P36888 3/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ IKBKB O14920 1/20 0.49
▸ CHUK O15111 1/20 0.49
▸ MAP3K11 Q16584 1/20 0.49
▸ CDK8 P49336 6/20 0.49
▸ AXL P30530 2/20 0.49
▸ PIK3CG P48736 2/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ PIK3CA P42336 3/20 0.48
▸ DYRK1A Q13627 2/20 0.48
▸ PIK3CD O00329 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ RIPK1 Q13546 3/20 0.47
▸ MTOR P42345 1/20 0.45
▸ DHFR P00374 1/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.44
▸ PLK4 O00444 3/20 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
SCHEMBL28509455 0.90 BRD4 (0.59) INSRCDK2FLT3ABL1IKBKB
SCHEMBL28502371 0.89 MAP4K1 (0.52) INSRCDK2FLT3ABL1IKBKB
SCHEMBL29086584 0.86 PIK3CA (0.54) INSRCDK2FLT3CDK8AXL
SCHEMBL28506118 0.85 DYRK1A (0.51) INSRCDK2FLT3ABL1IKBKB
SCHEMBL28502161 0.84 BRD4 (0.64) INSRCDK2FLT3ABL1IKBKB
SCHEMBL28507231 0.84 CDK8 (0.45) INSRCDK2FLT3ABL1IKBKB
SCHEMBL28502063 0.83 CDK8 (0.52) INSRCDK2FLT3ABL1IKBKB
SCHEMBL28499630 0.82 FLT3 (0.56) INSRCDK2FLT3ABL1IKBKB
SCHEMBL29889598 0.81 DYRK1A (0.56) INSRCDK2FLT3ABL1IKBKB
SCHEMBL28504401 0.81 MAPK1 (0.55) PIK3CGPIK3CADYRK1APIK3CDRIPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707930-A Aromatic ring compound and its prepn and use 甘李药业股份有限公司 2025-03-28 — — CN disclosed
CN-116848113-A Bicyclic compounds as HPK1 inhibitors and application thereof 南京再明医药有限公司 2023-10-03 — — CN disclosed
WO-2022228522-A1 ALKYNE COMPOUND AS HPK1 INHIBITOR AND USE THEREOF 江苏先声药业有限公司 2022-11-03 — — WO disclosed
WO-2022171034-A1 BICYCLIC COMPOUND AS HPK1 INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2022-08-18 — — WO disclosed
CN-114685489-A Polysubstituted nitrogen-containing heterocyclic compound and application thereof 江苏先声药业有限公司 2022-07-01 — — CN disclosed
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
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