SCHEMBL13014246

SCHEMBL13014246

CCOC(=O)C1=C(C)Nc2c(c(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)nc(=O)n2-c2ccccc2)C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
ACHE P22303 4/20 0.41
MAPT P10636 2/20 0.40
CACNA1F O60840 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 1/20 0.37
OPRD1 P41143 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 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
SCHEMBL13013474 0.91 ADORA3 (0.43) ADORA3ACHEMAPTCACNA1FCACNA1D
SCHEMBL13013026 0.91 MAPT (0.39) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL13014019 0.89 ADORA3 (0.43) ADORA3ACHEMAPTCACNA1FCACNA1D
SCHEMBL13013471 0.89 ADORA3 (0.41) ADORA3ACHEMAPTCACNA1FCACNA1D
SCHEMBL13014249 0.88 MAPT (0.47) ADORA3ACHEMAPTCACNA1FCACNA1D
SCHEMBL13014277 0.87 OPRD1 (0.45) ADORA3ACHEMAPTCACNA1FCACNA1D
SCHEMBL13014069 0.86 ADORA3 (0.41) ADORA3ACHEMAPTCACNA1FCACNA1D
SCHEMBL13014462 0.85 ADORA3 (0.40) ADORA3ACHEMAPTCACNA1FCACNA1D
SCHEMBL13014018 0.85 ACHE (0.40) ADORA3ACHEMAPTCACNA1FCACNA1D
SCHEMBL13014287 0.85 ADORA3 (0.44) ADORA3ACHEMAPTCACNA1FCACNA1D

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-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed