SCHEMBL17833162

SCHEMBL17833162

CNCCCNc1nc(-c2cccc(-c3cc(C(F)(F)F)ccc3F)c2)nc2c(C)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.36
RAD52 P43351 1/20 0.36
CTNNB1 P35222 2/20 0.36
TCF7L2 Q9NQB0 2/20 0.36
CTSK P43235 1/20 0.35
KCNH2 Q12809 1/20 0.35
ACP1 P24666 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
UBE2N P61088 1/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL17833274 0.93 SYK (0.39) SYKKDM4EALDH1A1GAAKMT2A
SCHEMBL17829956 0.92 SYK (0.47) SYKKDM4EALDH1A1GAAKMT2A
SCHEMBL17829814 0.90 RAD52 (0.49) SYKALDH1A1KMT2ARAD52KCNH2
SCHEMBL17829910 0.89 SYK (0.44) SYKKDM4EALDH1A1GAAKMT2A
SCHEMBL17833241 0.86 SYK (0.42) SYKKDM4EALDH1A1GAAKMT2A
SCHEMBL17833235 0.85 SYK (0.43) SYKKDM4EALDH1A1GAAKMT2A
SCHEMBL17833277 0.85 SYK (0.37) SYKKDM4EALDH1A1GAAKMT2A
SCHEMBL17833283 0.84 SYK (0.40) SYKKDM4EALDH1A1GAAKMT2A
SCHEMBL17833278 0.84 CYP11B2 (0.38) SYKKDM4EALDH1A1KMT2ARAD52
SCHEMBL17829885 0.83 SYK (0.36) SYKKMT2ARAD52CTSKKCNH2

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