SCHEMBL6663586

SCHEMBL6663586

Cc1ccc(OC(C(C)O)N(c2ncnc3scc(-c4ccccc4)c23)C2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.41
ADRB2 P07550 4/20 0.40
FGFR1 P11362 2/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ADRB1 P08588 3/20 0.37
MAPT P10636 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
SCHEMBL6664721 0.95 ADRB3 (0.45) ADRB3ADRB2FGFR1CSNK2A2CSNK2B
SCHEMBL6666922 0.93 ADRB3 (0.41) ADRB3ADRB2FGFR1CSNK2A2CSNK2B
SCHEMBL6666112 0.93 ADRB3 (0.44) ADRB3ADRB2FGFR1CSNK2A2CSNK2B
SCHEMBL6667993 0.90 CSNK2A2 (0.40) ADRB3ADRB2FGFR1CSNK2A2CSNK2B
SCHEMBL6665618 0.89 ADRB3 (0.39) ADRB3ADRB2FGFR1CSNK2A2CSNK2B
SCHEMBL6667655 0.88 POLB (0.42) ADRB3ADRB2FGFR1CSNK2A2CSNK2B
SCHEMBL6668018 0.87 ADRB3 (0.39) ADRB3ADRB2FGFR1CSNK2A2CSNK2B
SCHEMBL6668266 0.87 ADRB3 (0.38) ADRB3ADRB2FGFR1CSNK2A2CSNK2B
SCHEMBL6662632 0.86 ADRB3 (0.39) ADRB3ADRB2FGFR1CSNK2A2CSNK2B
SCHEMBL6663327 0.85 ADRB3 (0.41) ADRB3ADRB2FGFR1LMNAMAPK1

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