SCHEMBL6663327

SCHEMBL6663327

COc1ccc(OC(C(C)O)N(c2ncnc3scc(-c4ccccc4)c23)C2CCNCC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.41
ADRB2 P07550 3/20 0.41
MAPT P10636 3/20 0.41
FGFR1 P11362 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRB1 P08588 2/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 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
SCHEMBL6662632 0.90 ADRB3 (0.39) ADRB3ADRB2MAPTFGFR1NPSR1
SCHEMBL6665618 0.90 ADRB3 (0.39) ADRB3ADRB2MAPTFGFR1NPSR1
SCHEMBL6667655 0.89 POLB (0.42) ADRB3ADRB2MAPTFGFR1NPSR1
SCHEMBL6668266 0.88 ADRB3 (0.38) ADRB3ADRB2MAPTFGFR1NPSR1
SCHEMBL6666922 0.87 ADRB3 (0.41) ADRB3ADRB2MAPTFGFR1NPSR1
SCHEMBL6664721 0.86 ADRB3 (0.45) ADRB3ADRB2FGFR1ADRB1LMNA
SCHEMBL6663586 0.85 ADRB3 (0.41) ADRB3ADRB2MAPTFGFR1ADRB1
SCHEMBL6663277 0.84 MAPT (0.40) ADRB3ADRB2MAPTFGFR1NPSR1
SCHEMBL6667993 0.84 CSNK2A2 (0.40) ADRB3ADRB2FGFR1ADRB1CCNC
SCHEMBL6666112 0.84 ADRB3 (0.44) ADRB3ADRB2FGFR1ADRB1LMNA

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-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 WO disclosed