SCHEMBL27650232

SCHEMBL27650232

CCN(CC)Cc1c[nH]c2ccc(-c3cn[c]c(OCc4c(F)ccc(F)c4Cl)n3)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.44
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIM1 P11309 7/20 0.35
PIM3 Q86V86 5/20 0.35
PIM2 Q9P1W9 5/20 0.35
HTR2A P28223 2/20 0.35
S1PR1 P21453 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1A P08908 1/20 0.33
ICMT O60725 1/20 0.33

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
SCHEMBL30452546 0.83 MPO (0.44) MPOKDM4EMEN1ALDH1A1MAPT
SCHEMBL488920 0.83 MPO (0.44) MPOKDM4EMEN1ALDH1A1MAPT
SCHEMBL27650223 0.81 GRIN2B (0.37) MPOKDM4ES1PR1
SCHEMBL27630118 0.67 S1PR1 (0.34) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL27650140 0.67 S1PR1 (0.35) MPOKDM4EALDH1A1HSD17B10S1PR1
SCHEMBL10216305 0.66 CSF1R (0.37) MPOKDM4ES1PR1ICMT
SCHEMBL30453037 0.66 CSF1R (0.37) MPOKDM4ES1PR1ICMT
SCHEMBL488448 0.66 CSF1R (0.37) MPOKDM4ES1PR1ICMT
SCHEMBL21724167 0.66 MPO (0.68) MPOKDM4EMEN1ALDH1A1MAPT
SCHEMBL30453085 0.66 S1PR1 (0.41) MPOKDM4ES1PR1HTR1DICMT

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
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 CN disclosed