SCHEMBL8087337

SCHEMBL8087337

Cc1ccc(Nc2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)cc1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.85
MAPT P10636 4/20 0.78
TP53 P04637 2/20 0.78
LMNA P02545 1/20 0.78
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
GBA1 P04062 1/20 0.73
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 1/20 0.71
RXFP1 Q9HBX9 1/20 0.71
MAPK1 P28482 2/20 0.63
HTT P42858 1/20 0.63
NPSR1 Q6W5P4 1/20 0.62
NTSR1 P30989 1/20 0.62
KDM1A O60341 2/20 0.61
PDE5A O76074 2/20 0.60
GAA P10253 1/20 0.59

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
SCHEMBL4085665 0.95 ABCG2 (0.95) ABCG2MAPTTP53LMNAMEN1
SCHEMBL22201364 0.91 ABCG2 (0.94) ABCG2MAPTTP53LMNAMEN1
SCHEMBL4085140 0.89 ABCG2 (0.83) ABCG2MAPTTP53LMNAMEN1
SCHEMBL8095812 0.88 ABCG2 (1.00) ABCG2MAPTTP53LMNAMEN1
SCHEMBL5531993 0.88 ABCG2 (0.89) ABCG2MAPTTP53LMNAMEN1
SCHEMBL13945462 0.87 ABCG2 (0.80) ABCG2MAPTTP53LMNAMEN1
SCHEMBL8093527 0.85 ABCG2 (0.82) ABCG2MAPTTP53LMNAMEN1
SCHEMBL4095375 0.84 ABCG2 (0.74) ABCG2MAPTTP53LMNAMEN1
SCHEMBL4092319 0.83 ABCG2 (0.74) ABCG2MAPTTP53LMNAKDM1A
SCHEMBL4085190 0.83 ABCG2 (0.74) ABCG2MAPTTP53LMNAMEN1

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-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 WO disclosed