SCHEMBL23966613

SCHEMBL23966613

CCn1nc(Cn2cc3cc(OCC(F)F)c(C#N)cc3n2)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 7/20 0.52
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
AKR1B1 P15121 1/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL23908844 0.90 S1PR2 (0.61) S1PR2KCNH2AKR1B1ALOX15
SCHEMBL23915067 0.86 S1PR2 (0.52) S1PR2KCNH2MAPTPOLBALDH1A1
SCHEMBL23908771 0.84 S1PR2 (0.50) S1PR2KCNH2
SCHEMBL23908999 0.83 S1PR2 (0.54) S1PR2KCNH2MAPTMAPK1LMNA
SCHEMBL23909002 0.82 S1PR2 (0.49) S1PR2KCNH2
SCHEMBL23908879 0.82 S1PR2 (0.49) S1PR2KCNH2
SCHEMBL23909158 0.77 S1PR2 (0.64) S1PR2KCNH2AKR1B1ALOX15KMT2A
SCHEMBL23908869 0.77 S1PR2 (0.79) S1PR2KCNH2AKR1B1ALOX15
SCHEMBL23908841 0.77 S1PR2 (0.79) S1PR2KCNH2ALOX15
SCHEMBL23966899 0.74 S1PR2 (0.81) S1PR2KCNH2MAPT

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-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed