SCHEMBL8837798

SCHEMBL8837798

NCCNc1cc(-c2ccnc(Nc3cccc(OC(F)(F)C(F)F)c3)n2)ccn1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.81
PRKCA P17252 5/20 0.69
ABL1 P00519 4/20 0.69
BCR P11274 4/20 0.69
EGFR P00533 3/20 0.56
PRKCD Q05655 3/20 0.56
SRC P12931 2/20 0.56
PRKACA P17612 2/20 0.56
PRKACG P22612 2/20 0.56
PRKACB P22694 2/20 0.56
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
CAMK2D Q13557 1/20 0.55
CDK1 P06493 3/20 0.52
CDK2 P24941 3/20 0.52
MTOR P42345 3/20 0.52
SMG1 Q96Q15 3/20 0.52
CDK4 P11802 2/20 0.52
CCNB1 P14635 2/20 0.52
CCNA2 P20248 2/20 0.52

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
SCHEMBL8837799 0.94 CSNK2A1 (0.82) CSNK2A1PRKCAABL1BCREGFR
Monoethanolamine SCHEMBL8837869 0.93 CSNK2A1 (0.84) CSNK2A1PRKCAABL1BCREGFR
SCHEMBL8837830 0.92 ABL1 (0.70) CSNK2A1PRKCAABL1BCREGFR
SCHEMBL8837873 0.91 CSNK2A1 (0.90) CSNK2A1PRKCAABL1BCREGFR
SCHEMBL8837887 0.91 CSNK2A1 (0.81) CSNK2A1PRKCAABL1BCREGFR
SCHEMBL8837842 0.89 CSNK2A1 (0.75) CSNK2A1PRKCAABL1BCREGFR
SCHEMBL4538094 0.89 CSNK2A1 (0.65) CSNK2A1PRKCAABL1BCREGFR
SCHEMBL8837780 0.89 CSNK2A1 (1.00) CSNK2A1PRKCAABL1BCREGFR
SCHEMBL8837874 0.89 CSNK2A1 (0.77) CSNK2A1PRKCAABL1BCREGFR
SCHEMBL8837756 0.89 CSNK2A1 (0.77) CSNK2A1PRKCAABL1BCREGFR

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
US-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed