SCHEMBL14923800

SCHEMBL14923800

CCC(C)[C@@H](Nc1nc(Nc2ccc(N3CCOCC3)nc2)c(C(N)=O)cc1F)[C@H](C)N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.48
BTK Q06187 2/20 0.46
KCNH2 Q12809 1/20 0.46
STAT6 P42226 5/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL14908668 0.90 SYK (0.49) SYKBTKKCNH2STAT6KCNQ3
SCHEMBL14909002 0.87 SYK (0.48) SYKBTKKCNH2STAT6KCNQ3
SCHEMBL20473613 0.87 SYK (0.48) SYKBTKKCNH2STAT6KCNQ3
SCHEMBL14908945 0.85 BTK (0.52) SYKBTKKCNH2STAT6KCNQ3
SCHEMBL14909948 0.83 SYK (0.54) SYKBTKKCNH2STAT6KCNQ3
SCHEMBL14909950 0.83 SYK (0.54) SYKBTKKCNH2STAT6KCNQ3
SCHEMBL16165420 0.79 SYK (0.49) SYKSTAT6
SCHEMBL16165381 0.79 BTK (0.47) SYKBTKKCNH2STAT6KCNQ3
SCHEMBL16165382 0.79 BTK (0.47) SYKBTKKCNH2STAT6KCNQ3
SCHEMBL16164547 0.78 SYK (0.50) SYKSTAT6

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
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed