SCHEMBL13014277

SCHEMBL13014277

C=CCn1c2c(c(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)nc1=O)C(c1ccccc1)C(C(=O)OCC)=C(C)N2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 3/20 0.40
ACHE P22303 4/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CACNA1F O60840 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 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
SCHEMBL13014019 0.91 ADORA3 (0.43) MEN1KMT2ASMN1; SMN2ADORA3MAPT
SCHEMBL13014249 0.90 MAPT (0.47) ADORA3MAPTACHEBRD4BRD2
SCHEMBL13013035 0.89 OPRD1 (0.42) OPRD1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL13013474 0.88 ADORA3 (0.43) ADORA3MAPTACHEALDH1A1CACNA1F
SCHEMBL13014069 0.88 ADORA3 (0.41) ADORA3MAPTACHEBRD4BRD2
SCHEMBL13014246 0.87 ADORA3 (0.42) OPRD1ADORA3MAPTACHEBRD4
SCHEMBL13014462 0.87 ADORA3 (0.40) ADORA3MAPTACHEBRD4BRD2
SCHEMBL13014018 0.87 ACHE (0.40) ADORA3MAPTACHEBRD4BRD2
SCHEMBL13013471 0.86 ADORA3 (0.41) OPRD1ADORA3MAPTACHEBRD4
SCHEMBL13014283 0.84 ADORA3 (0.41) ADORA3ACHEBRD4BRD2BRD3

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