SCHEMBL24970331

SCHEMBL24970331

N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C#N)cc4C(F)(F)F)ccc32)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
PTGER4 P35408 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
PDPK1 O15530 1/20 0.35
AR P10275 4/20 0.35
CRHR1 P34998 1/20 0.34
PTPN5 P54829 1/20 0.34
RORC P51449 4/20 0.33
ENPP3 O14638 1/20 0.33
PDK2 Q15119 1/20 0.33

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
SCHEMBL24369987 0.94 KIF11 (0.39) KIF11PTGER4TRPV4PDPK1AR
SCHEMBL17950235 0.93 KIF11 (0.45) KIF11TRPV4ARCRHR1PTPN5
SCHEMBL24370070 0.92 KIF11 (0.36) KIF11PTGER4TRPV4ARPDK2
SCHEMBL17950302 0.92 TRPV4 (0.42) KIF11TRPV4ARCRHR1
SCHEMBL24370440 0.89 KIF11 (0.36) KIF11PTGER4PDPK1ARPTPN5
SCHEMBL17950240 0.89 AR (0.38) TRPV4PDPK1ARCRHR1RORC
SCHEMBL24370431 0.88 KIF11 (0.38) KIF11PTGER4PDPK1ARPDK2
SCHEMBL24369829 0.88 AR (0.39) KIF11PTGER4ARRORCPDK2
SCHEMBL21116533 0.88 KIF11 (0.45) KIF11PTGER4TRPV4PDPK1AR
SCHEMBL24370162 0.87 AR (0.36) KIF11PTGER4TRPV4PDPK1AR

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-2023008708-A1 ORGANIC LIGHT-EMITTING DIODE 주식회사 로오딘 2023-02-02 WO disclosed