SCHEMBL3433331

SCHEMBL3433331

CCOC(=O)C1=C(C)Nc2c(c(Nc3ccc(C)cc3)nc(=O)n2-c2ccccc2)C1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.49
ADORA3 P0DMS8 1/20 0.48
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ACHE P22303 5/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CSF1R P07333 1/20 0.40
NPEPPS P55786 1/20 0.40
MAPT P10636 3/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13014429 0.96 ADORA3 (0.51) CASP3ADORA3BRD4BRD2BRD3
SCHEMBL13014248 0.93 ABCC1 (0.48) CASP3ADORA3ACHEKDM4EALDH1A1
SCHEMBL13014294 0.90 CASP3 (0.46) CASP3BRD4BRD2BRD3BRDT
SCHEMBL13013481 0.90 ADORA3 (0.49) CASP3ADORA3BRD4BRD2BRD3
SCHEMBL13013458 0.89 ADORA3 (0.44) CASP3ADORA3BRD4BRD2BRD3
SCHEMBL13013560 0.89 ADORA3 (0.46) ADORA3BRD4BRD2BRD3BRDT
SCHEMBL13014079 0.87 BRD4 (0.49) CASP3ADORA3BRD4BRD2BRD3
SCHEMBL13013036 0.86 ADORA3 (0.46) CASP3ADORA3BRD4BRD2BRD3
SCHEMBL13014278 0.86 BRD4 (0.49) CASP3ADORA3BRD4BRD2BRD3
SCHEMBL13014421 0.86 ADORA3 (0.49) ADORA3BRD4BRD2BRD3BRDT

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 3 patents. 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
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
EP-2266984-A1 Pyrido[2,3-d]pyrimidines as Wnt antagonists for treatment of cancer and arthritis Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP disclosed