SCHEMBL24806293

SCHEMBL24806293

CC1(C#Cc2cccc3c2CCCN3c2nc3nncn3c3cccnc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.32
PTPN11 Q06124 2/20 0.31
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL30146462 1.00 STAT3 (0.36) STAT3KMT2AMAPTPTPN11KCNH2
SCHEMBL30146551 0.88 STAT3 (0.35) STAT3KMT2AMAPT
SCHEMBL30146487 0.88 STAT3 (0.35) STAT3KMT2AMAPT
SCHEMBL24806367 0.88 STAT3 (0.35) STAT3KMT2AMAPT
SCHEMBL24807752 0.88 STAT3 (0.35) STAT3KMT2AMAPT
SCHEMBL23577698 0.85 MAPT (0.37) STAT3KMT2AMAPTSMN1; SMN2
SCHEMBL31229669 0.85 MAPT (0.37) STAT3KMT2AMAPTSMN1; SMN2
SCHEMBL24807814 0.85 STAT3 (0.33) STAT3KMT2AMAPT
SCHEMBL24807708 0.85 PTPN11 (0.31) PTPN11KCNH2
SCHEMBL30146665 0.85 PTPN11 (0.31) PTPN11KCNH2

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-2022271650-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed