SCHEMBL17833241

SCHEMBL17833241

CNCCCNc1nc(-c2cccc(-c3cc(C(F)(F)F)ccc3F)c2)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
ACP1 P24666 1/20 0.40
KMT2A Q03164 2/20 0.40
RAD52 P43351 1/20 0.40
ABCG2 Q9UNQ0 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
PDE5A O76074 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GBA1 P04062 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL17831900 0.89 RAD52 (0.54) SYKACP1KMT2ARAD52ALDH1A1
SCHEMBL17833162 0.86 SYK (0.39) SYKACP1KMT2ARAD52ABCG2
SCHEMBL17829847 0.84 RAD52 (0.58) SYKACP1KMT2ARAD52ALDH1A1
SCHEMBL17833274 0.79 SYK (0.39) SYKACP1KMT2ARAD52ABCG2
SCHEMBL17829956 0.78 SYK (0.47) SYKKMT2ARAD52ALDH1A1KDM4E
SCHEMBL17831892 0.77 RAD52 (0.63) ACP1KMT2ARAD52ABCG2ALDH1A1
SCHEMBL17829975 0.76 RAD52 (0.48) SYKKMT2ARAD52ALDH1A1MAPK1
SCHEMBL17829814 0.76 RAD52 (0.49) SYKKMT2ARAD52ALDH1A1MAPK1
SCHEMBL17831887 0.76 CCR4 (0.55)
SCHEMBL17829910 0.74 SYK (0.44) SYKACP1KMT2ARAD52ABCG2

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