SCHEMBL790416

SCHEMBL790416

COC(=O)c1cccc(-c2ccc3nc(NCc4ccc(OC)cc4)c(-c4ccc(N5CCOCC5)cc4)cc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.50
KDR P35968 2/20 0.48
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PIK3CA P42336 3/20 0.44
PIK3CB P42338 1/20 0.44
STAT6 P42226 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PTGDR Q13258 1/20 0.42
PRKDC P78527 1/20 0.42
APP P05067 1/20 0.41
FGFR1 P11362 1/20 0.41
MAPT P10636 2/20 0.41
LRRK2 Q5S007 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL789915 0.88 RAB9A (0.50) KDRRAB9AMEN1KMT2ALMNA
SCHEMBL791199 0.87 RAB9A (0.50) KDRRAB9APIK3CASTAT6LMNA
SCHEMBL790392 0.85 KDR (0.48) KDRRAB9ALMNAMAPTLRRK2
SCHEMBL790093 0.85 SMN1; SMN2 (0.48) KDRRAB9AMEN1KMT2APIK3CA
SCHEMBL790646 0.85 KDR (0.47) KDRRAB9AMEN1KMT2ASTAT6
SCHEMBL791145 0.83 KDR (0.46) KDRRAB9AMEN1KMT2APIK3CA
SCHEMBL789889 0.81 RAB9A (0.48) KDRRAB9APIK3CASTAT6PTGDR
SCHEMBL789670 0.81 PI4KA (0.51) MRGPRX4RAB9AMEN1KMT2APIK3CA
SCHEMBL790949 0.80 PLAU (0.44) MEN1KMT2ALMNATSHRPTGDR
SCHEMBL790621 0.79 KDR (0.46) KDRRAB9AMEN1KMT2ASTAT6

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed