SCHEMBL5027644

SCHEMBL5027644

N#Cc1c(F)cc(NCC(N)=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.40
MELK Q14680 1/20 0.37
SYK P43405 1/20 0.35
PIP4K2A P48426 1/20 0.34
ENPP2 Q13822 1/20 0.33
DPP4 P27487 2/20 0.33
PREP P48147 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TSHR P16473 1/20 0.33
MAP3K8 P41279 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK8 P45983 1/20 0.32
AOC3 Q16853 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 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
SCHEMBL21568213 0.77 ALDH1A1 (0.46) TRPV4ENPP2TSHRALDH1A1MEN1
SCHEMBL976002 0.77 MELK (0.39) TRPV4MELKPIP4K2AALDH1A1MEN1
SCHEMBL30572420 0.71 TRPV4 (0.41) TRPV4TSHRALDH1A1AOC3
SCHEMBL17664048 0.71 TRPV4 (0.48) TRPV4S1PR3S1PR1
SCHEMBL8771796 0.70 CA1 (0.51) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL17588980 0.70 TRPV4 (0.52) TRPV4ENPP2ALDH1A1MEN1MAPT
SCHEMBL15157689 0.70 TRPV4 (0.40) TRPV4TSHRMEN1MAPTKMT2A
SCHEMBL2714212 0.69 SCN9A (0.38) SYKPIP4K2A
SCHEMBL2714216 0.69 SCN9A (0.38) SYKPIP4K2A
SCHEMBL24756413 0.69 SYK (0.36) SYKALDH1A1MEN1KMT2A

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-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed