SCHEMBL17833153

SCHEMBL17833153

CNCCCNc1nc(-c2cc(Br)cc(C(F)(F)F)c2)nc2c(C)ccc(C)c12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.36
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
RIPK1 Q13546 1/20 0.33
STK17A Q9UEE5 1/20 0.32
CHEK1 O14757 1/20 0.32
KCNH2 Q12809 2/20 0.32
CTSK P43235 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL17829901 0.88 KCNH2 (0.40) PRKCIS1PR1S1PR3CHEK1KCNH2
SCHEMBL17833279 0.86 CTNNB1 (0.37) PRKCIS1PR1S1PR3KCNH2CTSK
SCHEMBL17833281 0.82 SYK (0.38) PRKCIS1PR1S1PR3CHEK1KCNH2
SCHEMBL17833286 0.81 SYK (0.38) PRKCIS1PR1S1PR3RIPK1KCNH2
SCHEMBL17833143 0.81 PRKCI (0.34) PRKCIS1PR1S1PR3RIPK1STK17A
SCHEMBL17833282 0.80 SYK (0.39) PRKCIS1PR1S1PR3KCNH2CTSK
SCHEMBL17833283 0.78 SYK (0.40) KCNH2CTSK
SCHEMBL17833161 0.77 KMT2A (0.40) KCNH2CTSKNOS3NOS1
SCHEMBL17829946 0.77 SYK (0.47) STK17A
SCHEMBL17829899 0.76 SYK (0.36) S1PR1S1PR3

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