SCHEMBL28906903

SCHEMBL28906903

CC1(OC(N)=O)CCN(c2nc(Cl)cnc2CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 18/20 0.41
▸ EGFR P00533 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL28520538 0.84 PTPN11 (0.32) PTPN11
SCHEMBL28945530 0.79 PTPN11 (0.32) PTPN11PIK3CAMTORSCN10A
SCHEMBL23063935 0.78 PTPN11 (0.38) PTPN11SCN10A
SCHEMBL29070211 0.77 PTPN11 (0.41) PTPN11EGFRKCNH2
SCHEMBL28793472 0.77 PTPN11 (0.36) PTPN11PIK3CAMTOR
SCHEMBL29097721 0.76 HCRTR2 (0.38) PTPN11
SCHEMBL23126464 0.76 RET (0.41) PTPN11
SCHEMBL28679105 0.76 PANK3 (0.42) PTPN11
SCHEMBL23500914 0.71 P2RX7 (0.42) PTPN11
SCHEMBL28793429 0.69 KDM4E (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112351780-B Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2023-12-01 — — CN disclosed
CN-112351780-A Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2021-02-09 — — CN disclosed
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