SCHEMBL21186012

SCHEMBL21186012

COc1ccnc(C(=O)Nc2nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3s2)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.57
BRAF P15056 2/20 0.57
KCNH2 Q12809 1/20 0.57
CSNK1D P48730 5/20 0.52
KDR P35968 1/20 0.51
TEK Q02763 1/20 0.51
SCD O00767 4/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 3/20 0.51
CACNA1B Q00975 1/20 0.49
NCS1 P62166 1/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DYRK1A Q13627 1/20 0.48

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
SCHEMBL21186052 0.91 RAF1 (0.53) RAF1BRAFKCNH2CSNK1DKDR
SCHEMBL21186063 0.90 RAF1 (0.56) RAF1BRAFKCNH2CSNK1DSCD
SCHEMBL21186101 0.90 NPC1 (0.60) RAF1BRAFKCNH2SCDMEN1
SCHEMBL21186130 0.89 NPC1 (0.52) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL21186156 0.89 MAPT (0.59) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL21186175 0.88 DCLK1 (0.56) RAF1BRAFCSNK1DSCDMEN1
SCHEMBL21186151 0.88 NPC1 (0.54) RAF1BRAFKCNH2SCDMEN1
SCHEMBL21186181 0.87 MET (0.51) RAF1BRAFKCNH2CSNK1DSCD
SCHEMBL21186165 0.87 NPC1 (0.64) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL21186168 0.86 DCLK1 (0.53) RAF1BRAFCSNK1DSCDMEN1

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed