SCHEMBL7501864

SCHEMBL7501864

COc1ccc(CCNc2ccnc3cc(C(F)(F)F)ccc23)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 2/20 0.56
CCNC P24863 1/20 0.55
CDK8 P49336 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT3 P40763 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR1A P08908 2/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
APP P05067 1/20 0.47
EPHB6 O15197 1/20 0.46
RIPK2 O43353 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
EPHA1 P21709 1/20 0.46

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
SCHEMBL7509008 0.87 HTR1A (0.60) GAKCCNCCDK8SMN1; SMN2MEN1
SCHEMBL7500265 0.81 CCNC (0.64) CCNCCDK8SMN1; SMN2MEN1KMT2A
SCHEMBL7506331 0.81 CCNC (0.82) GAKCCNCCDK8SMN1; SMN2MEN1
SCHEMBL7504535 0.81 CCNC (0.64) GAKCCNCCDK8SMN1; SMN2MEN1
SCHEMBL15966216 0.79 GAA (0.52) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL1581183 0.76 ATM (0.56) SMN1; SMN2MEN1MAPK1KMT2AMAPT
SCHEMBL1855953 0.75 CCNC (0.55) GAKCCNCCDK8HTR1AADRA1D
SCHEMBL1861045 0.75 CCNC (0.55) GAKCCNCCDK8HTR1AADRA1D
SCHEMBL5549300 0.75 FERMT2 (0.68) GAKCCNCCDK8HTR1AADRA1D
SCHEMBL18500546 0.75 KDM4E (0.50) SMN1; SMN2MEN1KMT2AMAPTTP53

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
EP-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP disclosed