SCHEMBL17833152

SCHEMBL17833152

CNCCCNc1nc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)nc2c(C(F)(F)F)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.42
USP1 O94782 3/20 0.40
WDR48 Q8TAF3 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SYK P43405 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PDE5A O76074 2/20 0.38
ALOX15 P16050 1/20 0.38

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 0.89 SYK (0.38) ACP1USP1WDR48CYP1A2CYP3A4
SCHEMBL17833148 0.89 GBA1 (0.39) ACP1CYP1A2CYP3A4CYP2C19SYK
SCHEMBL17829883 0.89 ALDH1A1 (0.54) ACP1ALDH1A1RAD52KMT2AMAPK1
SCHEMBL17833150 0.86 CYP1A2 (0.41) USP1WDR48CYP1A2CYP3A4CYP2C19
SCHEMBL17833235 0.85 SYK (0.43) ACP1SYKALDH1A1RAD52KMT2A
SCHEMBL17833238 0.85 TNKS (0.41) ACP1SYKALDH1A1RAD52KMT2A
SCHEMBL17833283 0.84 SYK (0.40) ACP1CYP1A2CYP3A4CYP2C19SYK
SCHEMBL17833286 0.82 SYK (0.38) ACP1SYKALDH1A1RAD52KMT2A
SCHEMBL17833154 0.82 SYK (0.37) ACP1USP1WDR48CYP1A2CYP3A4
SCHEMBL17833161 0.82 KMT2A (0.40) ACP1SYKALDH1A1RAD52KMT2A

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