SCHEMBL4779713

SCHEMBL4779713

CCOC(=O)C(C)Oc1ccc(-c2ccc3nc(NCCC(C)C)ncc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRAF P15056 16/20 0.39
KMT2A Q03164 1/20 0.39
RAF1 P04049 1/20 0.39
BRD4 O60885 1/20 0.38
CASR P41180 1/20 0.37

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
SCHEMBL4779717 0.85 BRAF (0.43) BRAFRAF1CASR
SCHEMBL4359613 0.79 CYP1A2 (0.49) LMNAL3MBTL1KMT2A
SCHEMBL9063261 0.72 LMNA (0.63) LMNAL3MBTL1KMT2A
SCHEMBL9857703 0.72 LMNA (0.63) LMNAL3MBTL1KMT2A
SCHEMBL4353858 0.72 CLK4 (0.59) LMNAKMT2A
SCHEMBL4575121 0.69 EPHX2 (0.53) LMNAL3MBTL1KMT2A
SCHEMBL10730420 0.68 L3MBTL1 (0.42) LMNAL3MBTL1KMT2A
SCHEMBL4351973 0.67 LMNA (0.42) LMNAL3MBTL1KMT2A
SCHEMBL28798228 0.66 PCSK9 (0.56) CASR
SCHEMBL11012644 0.66 LMNA (0.70) LMNAL3MBTL1KMT2A

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-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed