SCHEMBL21287486

SCHEMBL21287486

C[C@H]1OCC2(CCN(C)CC2)[C@H]1N

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 16/20 0.44

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
SCHEMBL21287485 1.00 PTPN11 (0.44) PTPN11
SCHEMBL22049983 1.00 PTPN11 (0.44) PTPN11
SCHEMBL24097901 1.00 PTPN11 (0.44) PTPN11
SCHEMBL21287487 1.00 PTPN11 (0.44) PTPN11
SCHEMBL24091155 0.80 PTPN11 (0.41) PTPN11
SCHEMBL23022406 0.80 PTPN11 (0.42) PTPN11
SCHEMBL23022404 0.80 PTPN11 (0.41) PTPN11
SCHEMBL20909177 0.80 PTPN11 (0.42) PTPN11
SCHEMBL21845141 0.80 PTPN11 (0.39) PTPN11
SCHEMBL20909428 0.80 PTPN11 (0.39) PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328228-A1 HETEROCYCLIC COMPOUND FOR INHIBITING SHP2 ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2024-02-28 EP disclosed
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 EP disclosed
WO-2020210384-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-10-15 WO disclosed
WO-2019158019-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海青煜医药科技有限公司 2019-08-22 WO disclosed