SCHEMBL13890657

SCHEMBL13890657

CCSc1cc(Br)cc(C)c1-n1cc(C)c2c(N3CCCC(C#N)C3)nc(C)nc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.30
TSPO P30536 1/20 0.30
CRHR1 P34998 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30

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
SCHEMBL1637789 0.90 CHRM3 (0.34) FPR3TSPOCRHR1TMEM97
SCHEMBL1636123 0.86 CHRM3 (0.31)
SCHEMBL1638401 0.85 KDM4E (0.32) FPR3TSPOCRHR1TMEM97
SCHEMBL1637158 0.84 CRHR1 (0.33) FPR3TSPOCRHR1TMEM97
SCHEMBL1637882 0.82 CRHR1 (0.33) FPR3TSPOCRHR1TMEM97
SCHEMBL1638186 0.82 CRHR1 (0.39) FPR3TSPOCRHR1TMEM97
SCHEMBL1636914 0.78 CRHR1 (0.35) FPR3TSPOCRHR1TMEM97
SCHEMBL1637913 0.78 CRHR1 (0.33) FPR3TSPOCRHR1TMEM97
SCHEMBL13890557 0.77 KDM4E (0.31)
SCHEMBL1636786 0.77 JAK2 (0.33) FPR3TSPOCRHR1TMEM97

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-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP disclosed