SCHEMBL24879129

SCHEMBL24879129

COC(C)Cn1cnc2ccc(Sc3ncc(Cl)nc3C)c(Cl)c2c1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.33
GSK3B P49841 4/20 0.33
CDK1 P06493 3/20 0.33
CCNB1 P14635 3/20 0.33
CCNB2 O95067 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
TNF P01375 1/20 0.32
BRAF P15056 1/20 0.30

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
SCHEMBL27453727 0.90 PTPN11 (0.33) GSK3AGSK3BCDK1CCNB1CCNB2
SCHEMBL30987309 0.82 GSK3A (0.40) GSK3AGSK3BCDK1CCNB1CCNB2
SCHEMBL31723354 0.76 PTPN11 (0.33)
SCHEMBL24878893 0.75 BRAF (0.39) TNFBRAF
SCHEMBL27453722 0.74 GSK3A (0.36) GSK3AGSK3BCDK1CCNB1CCNB2
SCHEMBL31723372 0.73 PTPN11 (0.34) TNF
SCHEMBL30987346 0.70 PTPN11 (0.60)
SCHEMBL27240711 0.70 PTPN11 (0.62)
SCHEMBL30111077 0.70 PTPN11 (0.62)
SCHEMBL27453182 0.70 PTPN11 (0.43)

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