SCHEMBL6667993

SCHEMBL6667993

CC(O)C(Oc1ccc(F)c(F)c1)N(c1ncnc2scc(-c3ccccc3)c12)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ADRB3 P13945 12/20 0.40
ADRB2 P07550 7/20 0.39
ADRB1 P08588 5/20 0.39
FGFR1 P11362 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 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
SCHEMBL6668266 0.94 ADRB3 (0.38) CSNK2A2CSNK2BCSNK2A1ADRB3ADRB2
SCHEMBL6666112 0.92 ADRB3 (0.44) CSNK2A2CSNK2BCSNK2A1ADRB3ADRB2
SCHEMBL6664721 0.91 ADRB3 (0.45) CSNK2A2CSNK2BCSNK2A1ADRB3ADRB2
SCHEMBL6666922 0.91 ADRB3 (0.41) CSNK2A2CSNK2BCSNK2A1ADRB3ADRB2
SCHEMBL6665618 0.90 ADRB3 (0.39) CSNK2A2CSNK2BCSNK2A1ADRB3ADRB2
SCHEMBL6663586 0.90 ADRB3 (0.41) CSNK2A2CSNK2BCSNK2A1ADRB3ADRB2
SCHEMBL6667655 0.89 POLB (0.42) CSNK2A2CSNK2BCSNK2A1ADRB3ADRB2
SCHEMBL6668018 0.88 ADRB3 (0.39) CSNK2A2CSNK2BCSNK2A1ADRB3ADRB2
SCHEMBL6663277 0.88 MAPT (0.40) CSNK2A2CSNK2BCSNK2A1ADRB3ADRB2
SCHEMBL6662632 0.87 ADRB3 (0.39) CSNK2A2CSNK2BCSNK2A1ADRB3ADRB2

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