SCHEMBL13890685

SCHEMBL13890685

CBc1cc(C)c(-n2cc(C)c3c(N4CCC(C#N)CC4)nc(C)nc32)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.34
FPR3 P25089 2/20 0.33
TSPO P30536 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
EGLN1 Q9GZT9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1636914 0.88 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97KDM4E
SCHEMBL13890642 0.87 CRHR1 (0.34) CRHR1FPR3TSPOTMEM97
SCHEMBL1637882 0.84 CRHR1 (0.33) CRHR1FPR3TSPOTMEM97KDM4E
SCHEMBL13890604 0.84 JAK2 (0.35) CRHR1FPR3TSPOTMEM97
SCHEMBL13890660 0.83 CRHR1 (0.54) CRHR1KDM4EALDH1A1
SCHEMBL14277046 0.82 MAP2K7 (0.36) CRHR1FPR3TSPOTMEM97
SCHEMBL1637158 0.82 CRHR1 (0.33) CRHR1FPR3TSPOTMEM97
SCHEMBL13890692 0.82 CRHR1 (0.33) CRHR1FPR3TSPOTMEM97
SCHEMBL13890557 0.79 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL14277173 0.78 ENPP1 (0.35) CRHR1FPR3TSPOTMEM97

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