SCHEMBL10148883

SCHEMBL10148883

CCCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCN3CCOCC3)c2)c(C(=O)Nc2cnc(-c3cccc(C(F)(F)F)c3)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.51
MAPK14 Q16539 3/20 0.51
RXFP1 Q9HBX9 1/20 0.45
TRPV4 Q9HBA0 5/20 0.44
BRAF P15056 7/20 0.43
KDR P35968 2/20 0.43
RAF1 P04049 5/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 1/20 0.42
SRC P12931 1/20 0.41
TYK2 P29597 1/20 0.41
SYK P43405 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK10 P53779 1/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL46894 0.87 LCK (0.51) LCKMAPK14RXFP1TRPV4BRAF
SCHEMBL46512 0.79 SLC34A2 (0.56) LCKMAPK14TRPV4BRAFRAF1
SCHEMBL15433035 0.78 DGAT1 (0.45) LCKMAPK14RXFP1KDR
SCHEMBL46988 0.77 SLC34A2 (0.53) LCKMAPK14TRPV4BRAFRAF1
SCHEMBL15957436 0.77 LCK (0.43) LCKMAPK14RXFP1TRPV4BRAF
SCHEMBL16691165 0.77 SLC34A2 (0.46) LCKMAPK14TRPV4BRAFKDR
SCHEMBL15432551 0.76 SLC34A2 (0.59) LCKMAPK14TRPV4BRAFRAF1
SCHEMBL15444404 0.76 TRPV4 (0.43) LCKMAPK14RXFP1TRPV4BRAF
SCHEMBL46994 0.75 SLC34A2 (0.52) LCKMAPK14TRPV4BRAFRAF1
SCHEMBL10225092 0.74 ALK (0.46) LCKMAPK14TRPV4BRAFRAF1

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-2012006474-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed