SCHEMBL23966844

SCHEMBL23966844

CCOC(=O)Cn1nc(Cc2nc3cc(OCC(F)F)c(Cl)cc3[nH]2)c2cc(Br)ccc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.70
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
JAK2 O60674 1/20 0.36
PAK4 O96013 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
GRK5 P34947 1/20 0.36
MAP2K2 P36507 1/20 0.36

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
SCHEMBL23966848 0.93 S1PR2 (0.72) S1PR2RHEBNLRP3
SCHEMBL23966552 0.91 S1PR2 (0.84) S1PR2RHEBNLRP3
SCHEMBL23908918 0.91 S1PR2 (0.69) S1PR2RHEBNLRP3
SCHEMBL23966815 0.85 S1PR2 (0.63) S1PR2L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL23914869 0.85 S1PR2 (0.72) S1PR2RHEB
SCHEMBL23966530 0.81 S1PR2 (0.82) S1PR2L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL23966542 0.80 S1PR2 (0.82) S1PR2L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL23914638 0.80 S1PR2 (0.80) S1PR2RHEB
SCHEMBL23914868 0.80 S1PR2 (0.66) S1PR2CYP1A2CYP2C9NLRP3
SCHEMBL23908887 0.79 S1PR2 (0.94) S1PR2

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