SCHEMBL14196151

SCHEMBL14196151

COc1cnc2[nH]cc(C(=O)c3ccc(NCc4ccc(O)nc4)nc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.53
CYP3A4 P08684 7/20 0.49
CYP1A2 P05177 1/20 0.45
HDAC1 Q13547 1/20 0.41
CYP2C19 P33261 4/20 0.41
VNN1 O95497 4/20 0.41
AAK1 Q2M2I8 2/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2D6 P10635 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
LCK P06239 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL12304412 0.91 CYP3A4 (0.59) CSF1RCYP3A4CYP1A2HDAC1CYP2C19
SCHEMBL4503728 0.81 CYP2C9 (0.60) CSF1RCYP3A4CYP1A2CYP2C19VNN1
SCHEMBL2113102 0.77 CYP3A4 (0.48) CSF1RCYP3A4HDAC1CYP2C19VNN1
SCHEMBL15987210 0.74 CSF1R (0.71) CSF1RCYP3A4CYP1A2CYP2C19VNN1
SCHEMBL1267969 0.73 CYP3A4 (0.76) CSF1RCYP3A4CYP1A2CYP2C19AAK1
SCHEMBL1890622 0.72 CYP3A4 (0.76) CSF1RCYP3A4CYP1A2CYP2C19AAK1
SCHEMBL1267844 0.71 CSF1R (0.77) CSF1RCYP3A4CYP1A2CYP2C19AAK1
SCHEMBL1885108 0.70 CSF1R (0.81) CSF1RCYP3A4CYP1A2CYP2C19AAK1
SCHEMBL15987202 0.70 KIT (0.55) CSF1RCYP3A4CYP2C19VNN1AAK1
SCHEMBL1267898 0.70 ADORA2A (0.55) CSF1RVNN1LCKKITFLT1

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-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed