SCHEMBL7090108

SCHEMBL7090108

Nc1nc(Nc2ccccc2)nn1-c1ccccc1.O=C=Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.51
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
IMPDH2 P12268 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL4047768 0.85 FLT3 (0.64) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL12779064 0.77 FLT3 (0.55) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL4036342 0.75 FLT3 (0.66) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL1248063 0.75 FLT3 (0.53) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL4039312 0.74 FLT3 (0.62) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL12779226 0.73 FLT3 (0.60) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL4039213 0.73 FLT3 (0.64) FLT3LMNASMN1; SMN2ALDH1A1CA12
SCHEMBL4043648 0.72 FLT3 (0.60) FLT3LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL4038418 0.71 FLT3 (0.65) FLT3LMNASMN1; SMN2ALDH1A1CA1
SCHEMBL4036045 0.71 FLT3 (0.58) FLT3LMNASMN1; SMN2GLAALDH1A1

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-1355889-A1 SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-10-29 EP disclosed
WO-2002057240-A1 SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS ORTHO MC NEIL PHARMACEUTICAL, INC. (US) 2002-07-25 WO disclosed