SCHEMBL20182341

SCHEMBL20182341

C#CC(C)n1cc(C)c2c(Cl)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.40
MEN1 O00255 1/20 0.33
NR2F2 P24468 1/20 0.33
KMT2A Q03164 1/20 0.33
SRC P12931 1/20 0.31

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
SCHEMBL30037220 0.84 ADK (0.41) ADKMEN1NR2F2KMT2ASRC
SCHEMBL20162965 0.84 ADK (0.41) ADKMEN1NR2F2KMT2ASRC
SCHEMBL25611698 0.83 ADK (0.45) ADKMEN1NR2F2KMT2ASRC
SCHEMBL20181879 0.82 RET (0.41) ADKSRC
SCHEMBL20182230 0.82 ADK (0.38) ADKMEN1NR2F2KMT2A
SCHEMBL20181850 0.80 ADK (0.39) ADKMEN1NR2F2KMT2A
SCHEMBL20181888 0.72 ADK (0.44) ADKMEN1NR2F2KMT2ASRC
SCHEMBL6935719 0.71 ADK (0.48) ADKMEN1NR2F2KMT2ASRC
SCHEMBL30038177 0.70 DYRK3 (0.44) ADKSRC
SCHEMBL20162723 0.70 DYRK3 (0.44) ADKSRC

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-2018094137-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) 2018-05-24 WO disclosed