SCHEMBL30111053

SCHEMBL30111053

C[C@@H]1OCC2(CCN(c3nc(N)cnc3C(N)=O)CC2)[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 14/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33

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
SCHEMBL24879360 1.00 PTPN11 (0.36) PTPN11EGFRLCKJAK3BTK
SCHEMBL24879060 0.93 PTPN11 (0.34) PTPN11EGFRLCKJAK3BTK
SCHEMBL24879056 0.86 JAK3 (0.41) PTPN11JAK3BTKPIK3R1PIK3CA
SCHEMBL30111158 0.86 JAK3 (0.41) PTPN11JAK3BTKPIK3R1PIK3CA
SCHEMBL27216052 0.84 PTPN11 (0.36) PTPN11EGFRLCKJAK3BTK
SCHEMBL30111125 0.84 PTPN11 (0.36) PTPN11EGFRLCKJAK3BTK
SCHEMBL23064011 0.83 PTPN11 (0.36) PTPN11JAK3BTKCKS1BSKP1
SCHEMBL16925239 0.81 JAK3 (0.39) PTPN11EGFRLCKJAK3BTK
SCHEMBL29498065 0.81 JAK3 (0.39) PTPN11EGFRLCKJAK3BTK
SCHEMBL31013106 0.81 L3MBTL1 (0.33) PTPN11JAK3BTKCKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed