SCHEMBL17613802

SCHEMBL17613802

NCCNc1c2c([nH]c3ccc(F)cc32)c(O)c2[nH]c3ccc(F)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
JAK3 P52333 1/20 0.42
TERT O14746 4/20 0.38
MPO P05164 1/20 0.37
HTR2A P28223 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
FERMT2 Q96AC1 1/20 0.36
KMT2A Q03164 2/20 0.36
HTR1A P08908 1/20 0.36
SYK P43405 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3460078 0.85 JAK2 (0.43) JAK2CDK5CDK5R1JAK3TERT
SCHEMBL3460724 0.78 JAK2 (0.46) JAK2CDK5CDK5R1JAK3TERT
SCHEMBL12968601 0.77 CDK5 (0.50) JAK2CDK5CDK5R1JAK3KMT2A
SCHEMBL17613784 0.74 CDK5 (0.47) JAK2CDK5CDK5R1JAK3KMT2A
SCHEMBL18689025 0.72 TERT (0.52) JAK2TERTMPO
SCHEMBL3461880 0.72 JAK2 (0.53) JAK2JAK3TERTMPOKMT2A
SCHEMBL3460014 0.70 TERT (0.48) JAK2JAK3TERTMPOKMT2A
SCHEMBL17613793 0.70 ACHE (0.47) CDK5CDK5R1KMT2AMEN1GAA
SCHEMBL3461165 0.69 TERT (0.57) JAK2TERTMPO
SCHEMBL1035716 0.67 CDK5 (0.49) JAK2CDK5CDK5R1JAK3HTR2A

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
EP-2326327-B1 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION STANFORD RES INST INT (US) 2016-03-23 EP disclosed