SCHEMBL19444676

SCHEMBL19444676

CNc1ncnc2sc3c(c12)CCC3

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
ALDH1A1 P00352 4/20 0.73
GAA P10253 3/20 0.73
KDM4E B2RXH2 2/20 0.73
MAPK1 P28482 3/20 0.64
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 2/20 0.63
GLA P06280 1/20 0.63
LIMK1 P53667 2/20 0.60
HTT P42858 3/20 0.60
RAF1 P04049 2/20 0.60
IRAK4 Q9NWZ3 1/20 0.60
MKNK1 Q9BUB5 3/20 0.58
FGFR1 P11362 1/20 0.58
TP53 P04637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
EGFR P00533 1/20 0.57

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
SCHEMBL10237224 0.97 MAPT (0.68) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL29881929 0.84 MAPT (1.00) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL12375203 0.81 MAPT (0.94) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL10343492 0.81 IRAK4 (0.77) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL10343557 0.81 IRAK4 (0.77) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL10343576 0.81 IRAK4 (0.77) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL13164880 0.80 IRAK4 (0.76) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL10343525 0.79 LIMK1 (0.66) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL10343388 0.79 IRAK4 (0.74) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL5313910 0.79 LMNA (0.63) MAPTALDH1A1GAAKDM4EMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074115-B1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2018-03-07 EP disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 EP disclosed