SCHEMBL17833146

SCHEMBL17833146

CNCCCNc1nc(-c2cccc(-c3ccc(C(F)(F)F)c(F)c3)c2)nc2c(Cl)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 4/20 0.39
WDR48 Q8TAF3 4/20 0.39
CYP11B2 P19099 3/20 0.38
KIF11 P52732 2/20 0.36
NR4A2 P43354 1/20 0.36
SYK P43405 2/20 0.35
KMT2A Q03164 3/20 0.35
RAD52 P43351 1/20 0.35
ACP1 P24666 1/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
CYP11B1 P15538 2/20 0.34
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
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 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
SCHEMBL17833278 0.90 CYP11B2 (0.38) USP1WDR48CYP11B2KIF11SYK
SCHEMBL17829896 0.89 RAD52 (0.48) USP1WDR48SYKKMT2ARAD52
SCHEMBL17833154 0.85 SYK (0.37) USP1WDR48NR4A2SYKKMT2A
SCHEMBL17833144 0.83 SMN1; SMN2 (0.47) USP1WDR48NR4A2SYKKMT2A
SCHEMBL17829830 0.79 RAD52 (0.51) CYP11B2SYKKMT2ARAD52ACP1
SCHEMBL17833152 0.77 ACP1 (0.42) USP1WDR48SYKKMT2ARAD52
SCHEMBL17829910 0.76 SYK (0.44) SYKKMT2ARAD52ACP1MEN1
SCHEMBL17833277 0.74 SYK (0.37) SYKKMT2ARAD52ACP1MEN1
SCHEMBL17829897 0.74 RAD52 (0.47) KMT2ARAD52MEN1POLB
SCHEMBL17833162 0.74 SYK (0.39) SYKKMT2ARAD52ACP1MEN1

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