SCHEMBL20762170

SCHEMBL20762170

CN1C=CC(C)(C)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ MGLL Q99685 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
SCHEMBL20760483 0.72 — —
SCHEMBL1100011 0.66 — —
SCHEMBL21788823 0.65 GSK3A (0.32) GSK3AGSK3BMGLL
SCHEMBL14597186 0.64 MEN1 (0.46) GSK3AGSK3BMGLL
SCHEMBL10466439 0.64 — —
SCHEMBL12462861 0.60 — —
SCHEMBL8903573 0.60 CYP1A2 (0.33) GSK3AGSK3BMGLL
SCHEMBL36966 0.59 — —
SCHEMBL21041282 0.59 GSK3A (0.35) GSK3AGSK3BMGLL
SCHEMBL23889389 0.59 GSK3B (0.31) GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668881-B1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS INC (US) 2023-10-04 — — EP disclosed
EP-4190789-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-06-07 — — EP disclosed
EP-4166555-A1 PYRIDINE-PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-04-19 — — EP disclosed
WO-2022111636-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-06-02 — — WO disclosed
WO-2021143816-A1 FUSED IMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-07-22 — — WO disclosed
WO-2021121276-A1 FUSED TETRACYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-06-24 — — WO disclosed
WO-2021098811-A1 PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-05-27 — — WO disclosed
WO-2020238776-A1 SUBSTITUTED FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINES 江苏恒瑞医药股份有限公司 2020-12-03 — — WO disclosed
WO-2020156505-A1 2-AMIONPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINES 江苏恒瑞医药股份有限公司 2020-08-06 — — WO disclosed
WO-2019035863-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2019-02-21 — — WO disclosed
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