SCHEMBL18237382

SCHEMBL18237382

CCn1ncc2cc[nH]c21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
CYP11B2 P19099 1/20 0.33
HTT P42858 1/20 0.32
PDE10A Q9Y233 1/20 0.32
RECQL P46063 1/20 0.30
JAK2 O60674 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
SCHEMBL13239257 0.76 HTT (0.47) HTTRECQL
SCHEMBL24794159 0.69 CCNK (0.37) HASPINCCNKCDK12
SCHEMBL13239075 0.69 PIK3CD (0.33) JAK2
SCHEMBL29989046 0.65 HASPIN (0.49) HASPINPDE10ARECQL
SCHEMBL21501930 0.65 HASPIN (0.49) HASPINPDE10ARECQL
SCHEMBL13217 0.64 RECQL (0.61) RECQL
SCHEMBL8415038 0.63 CYP2A6 (0.30)
SCHEMBL20594144 0.62 HTR2A (0.41) HASPINRECQL
SCHEMBL21285480 0.61 MAPT (0.40) HASPINCYP11B2HTTPDE10ARECQL
SCHEMBL23206121 0.61 HTR2C (0.46) HASPINCYP11B2HTT

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-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed