SCHEMBL5673231

SCHEMBL5673231

COCCc1nc(N2CCOCC2)c2nc(Nc3ccccc3C)[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
GAA P10253 5/20 0.38
MAPT P10636 5/20 0.38
TP53 P04637 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
AKT1 P31749 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CCNK O75909 2/20 0.37
CCND3 P30281 2/20 0.37
CDK9 P50750 2/20 0.37
CDK6 Q00534 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PIK3CA P42336 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL5673227 0.85 SMN1; SMN2 (0.42) LMNAGAAMAPTTP53MEN1
SCHEMBL430964 0.83 MAPT (0.46) LMNAGAAMAPTTP53MEN1
SCHEMBL3325263 0.82 LMNA (0.52) LMNAGAAMAPTTP53MEN1
SCHEMBL3325454 0.76 PIM1 (0.36) LMNAKMT2APIK3CDKDM4EALDH1A1
SCHEMBL428798 0.74 MAPT (0.43) LMNAGAAMAPTTP53MEN1
SCHEMBL3326713 0.72 KDM1A (0.39) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL427561 0.72 GBA1 (0.49) LMNAGAAMAPTTP53MEN1
SCHEMBL13759303 0.68 MAPT (0.43) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL3326178 0.67 LMNA (0.59) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13759214 0.66 CHEK1 (0.51) LMNAMAPTTP53MEN1KMT2A

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
EP-1556140-A4 NOVEL COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2006-04-19 EP disclosed
EP-1556140-A2 NOVEL COMPOUNDS Synta Pharmaceuticals Corporation (US) 2005-07-27 EP disclosed
WO-2004035740-A2 AROMATIC BICYCLIC HETEROCYLES TO MODULATE 1L - 12 PRODUCTION SYNTA PHARMACEUTICALS CORP. (US) 2004-04-29 WO disclosed