SCHEMBL3386188

SCHEMBL3386188

CC(C)(C)c1cccc2cc(CCCO)c(-c3cccc(O)c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.36
PIK3CD O00329 2/20 0.36
PIK3C2B O00750 1/20 0.36
PDXK O00764 1/20 0.36
GAK O14976 1/20 0.36
MAP3K7 O43318 1/20 0.36
RIPK2 O43353 1/20 0.36
PIP5K1C O60331 1/20 0.36
STK16 O75716 1/20 0.36
PIK3C2G O75747 1/20 0.36
PRKD3 O94806 1/20 0.36
OXSR1 O95747 1/20 0.36
LATS1 O95835 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
LCK P06239 1/20 0.36
BRAF P15056 1/20 0.36
CSNK2A2 P19784 1/20 0.36
JAK1 P23458 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
SCHEMBL3383008 0.80 ESR1 (0.40) PIK3CD
SCHEMBL3386183 0.78 PIK3CG (0.40) PIK3CGGCGRHSD17B2
SCHEMBL6567771 0.66 CA2 (0.55)
SCHEMBL13005210 0.65 AKT1 (0.39) KMT2A
SCHEMBL3386976 0.64 PIK3CD (0.46) PIK3CDMEN1KMT2AGAA
SCHEMBL10102645 0.64 CNR2 (0.38) CSNK1A1CSNK1DCSNK1G2MEN1KMT2A
SCHEMBL3387117 0.64 ATM (0.39) PIK3CDMEN1KMT2AGCGRGAA
SCHEMBL20989990 0.63 CA2 (0.39)
SCHEMBL26523058 0.62 KDM4E (0.45)
SCHEMBL17791427 0.62 RAB9A (0.42) RIPK2ABL1ADORA1

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-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
EP-1891011-A1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 Merck Patent GmbH (DE) 2008-02-27 EP disclosed
WO-2006133821-A1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2006-12-21 WO disclosed