SCHEMBL13375110

SCHEMBL13375110

CCCCNC(=O)c1c(-c2nc3cc(C)c(C)cc3[nH]2)n[nH]c1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.49
KDR P35968 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
FLT3 P36888 10/20 0.45
HPSE Q9Y251 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL5952481 0.80 CHEK1 (0.48) FLT3HPSEKDM4EALDH1A1
SCHEMBL5953364 0.80 HPSE (0.44) HPSEKDM4EALDH1A1
SCHEMBL4089768 0.79 HPSE (0.47) HPSEKDM4EALDH1A1
SCHEMBL5951954 0.78 PDE4D (0.50) HPSEKDM4EALDH1A1
SCHEMBL13849191 0.77 FLT3 (0.65) FLT3KDM4E
SCHEMBL13849202 0.76 FLT3 (0.61) FLT3
SCHEMBL4096535 0.75 HPSE (0.41) FLT3HPSEKDM4EALDH1A1
SCHEMBL13849221 0.75 CHEK1 (0.42) FLT3HPSEKDM4EALDH1A1
SCHEMBL5952720 0.75 HPSE (0.42) FLT3HPSEKDM4EALDH1A1
SCHEMBL13849263 0.74 FLT3 (0.56) FLT3

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed