SCHEMBL17833277

SCHEMBL17833277

CNCCCNc1nc(-c2cccc(-c3cc(F)cc(C(F)(F)F)c3)c2)nc2c(C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.37
KMT2A Q03164 2/20 0.37
RAD52 P43351 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
CTSK P43235 1/20 0.35
KCNH2 Q12809 1/20 0.35
ACP1 P24666 1/20 0.35
ABCG2 Q9UNQ0 6/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL17833235 0.92 SYK (0.43) SYKKMT2ARAD52CTNNB1TCF7L2
SCHEMBL17829910 0.92 SYK (0.44) SYKKMT2ARAD52KDM4EALDH1A1
SCHEMBL17833154 0.90 SYK (0.37) SYKKMT2ARAD52KDM4EALDH1A1
SCHEMBL17829841 0.89 RAD52 (0.50) KMT2ARAD52ALDH1A1KCNH2MEN1
SCHEMBL17833283 0.89 SYK (0.40) SYKKMT2ARAD52CTNNB1TCF7L2
SCHEMBL17833238 0.88 TNKS (0.41) SYKKMT2ARAD52CTNNB1TCF7L2
SCHEMBL17833161 0.87 KMT2A (0.40) SYKKMT2ARAD52CTNNB1TCF7L2
SCHEMBL17833162 0.85 SYK (0.39) SYKKMT2ARAD52CTNNB1TCF7L2
SCHEMBL17833274 0.85 SYK (0.39) SYKKMT2ARAD52CTNNB1TCF7L2
SCHEMBL17833278 0.84 CYP11B2 (0.38) SYKKMT2ARAD52CTNNB1TCF7L2

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-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed