SCHEMBL877550

SCHEMBL877550

CCCCNc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)O)c3)c3cc(O)ccc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
ABCG2 Q9UNQ0 7/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
PRKD3 O94806 2/20 0.42
MET P08581 1/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 3/20 0.41
ROCK2 O75116 2/20 0.41
PLK4 O00444 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
PHKG2 P15735 1/20 0.41
CDK2 P24941 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
MAP2K2 P36507 1/20 0.41
PRKCI P41743 1/20 0.41
MAPKAPK2 P49137 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
SCHEMBL878170 0.90 EGFR (0.47) SYKABCG2MEN1KMT2APRKD3
SCHEMBL877549 0.89 PRKD3 (0.54) SYKABCG2MEN1KMT2APRKD3
SCHEMBL1724776 0.88 ROCK2 (0.44) SYKABCG2PRKD3METROCK2
SCHEMBL877014 0.87 PRKD3 (0.51) SYKABCG2MEN1KMT2APRKD3
SCHEMBL877821 0.85 ROCK2 (0.45) ABCG2PRKD3METROCK2ABCB1
SCHEMBL877966 0.84 ROCK2 (0.49) PRKD3METROCK2PLK4CHEK2
SCHEMBL1727988 0.84 CYP1A2 (0.47) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1727990 0.81 ABCG2 (0.58) ABCG2MEN1KMT2APRKD3MAPT
SCHEMBL878154 0.80 MEN1 (0.60) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL878169 0.80 PRKD3 (0.51) SYKABCG2MEN1KMT2APRKD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 WO disclosed
EP-2406236-A1 RHO KINASE INHIBITORS Surface Logix, Inc. (US) 2012-01-18 EP disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 EP disclosed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 WO disclosed