SCHEMBL17833286

SCHEMBL17833286

CNCCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(Br)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.38
PRKCI P41743 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 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
RIPK1 Q13546 1/20 0.34
HMOX1 P09601 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
RAD52 P43351 1/20 0.33
KMT2A Q03164 1/20 0.33
UBE2N P61088 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GBA1 P04062 2/20 0.33
MAPK1 P28482 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL17833281 0.93 SYK (0.38) SYKPRKCIALDH1A1KDM4EGAA
SCHEMBL17833282 0.91 SYK (0.39) SYKPRKCIALDH1A1KDM4EGAA
SCHEMBL17833279 0.91 CTNNB1 (0.37) SYKPRKCIALDH1A1KDM4EGAA
SCHEMBL17829871 0.89 ALDH1A1 (0.47) SYKPRKCIALDH1A1KCNH2RAD52
SCHEMBL17833143 0.84 PRKCI (0.34) SYKPRKCICTSKKCNH2RIPK1
SCHEMBL17833283 0.84 SYK (0.40) SYKALDH1A1KDM4EGAACTSK
SCHEMBL17833152 0.82 ACP1 (0.42) SYKALDH1A1KDM4EGAAACP1
SCHEMBL17833161 0.82 KMT2A (0.40) SYKALDH1A1KDM4EGAACTSK
SCHEMBL17829575 0.82 RAD52 (0.52) SYKPRKCIALDH1A1KCNH2RAD52
SCHEMBL17829946 0.82 SYK (0.47) SYKALDH1A1KDM4EGAAHMOX1

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