SCHEMBL13014273

SCHEMBL13014273

CCOC(=O)C1=C(C)Nc2c(c(Nc3ccc(Cl)cc3)nc(=O)n2CCOC)C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
ABCC1 P33527 1/20 0.46
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.44
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
CACNA1D Q01668 1/20 0.42
PTAFR P25105 1/20 0.41
ACHE P22303 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.40
MYLK Q15746 1/20 0.40
P2RX3 P56373 1/20 0.39

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
SCHEMBL13013490 0.94 ADORA3 (0.48) ADORA3ABCC1HPGDMAPTBRD4
SCHEMBL13014278 0.94 BRD4 (0.49) ADORA3MAPTBRD4BRD2BRD3
SCHEMBL13012935 0.93 ADORA3 (0.49) ADORA3ABCC1HPGDMAPTBRD4
SCHEMBL13014020 0.91 ADORA3 (0.45) ADORA3ABCC1HPGDMAPTBRD4
SCHEMBL13013473 0.90 HPGD (0.49) ADORA3ABCC1HPGDMAPTCACNA1D
SCHEMBL13014460 0.90 ADORA3 (0.44) ADORA3ABCC1HPGDMAPTBRD4
SCHEMBL13013583 0.89 ADORA3 (0.46) ADORA3ABCC1HPGDMAPTBRD4
SCHEMBL13014023 0.89 ADORA3 (0.42) ADORA3ABCC1HPGDMAPTBRD4
SCHEMBL13014002 0.88 ABCC1 (0.42) ABCC1HPGDMAPTPTAFRKDM4E
SCHEMBL13014079 0.88 BRD4 (0.49) ADORA3MAPTBRD4BRD2BRD3

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