SCHEMBL11211032

SCHEMBL11211032

C=CCc1nnc2ccc(-c3ccccc3)cn12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.57
RET P07949 1/20 0.54
PIM1 P11309 1/20 0.54
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54
KDR P35968 1/20 0.54
FLT3 P36888 1/20 0.54
PIM3 Q86V86 1/20 0.54
ALK Q9UM73 1/20 0.54
MAPK14 Q16539 3/20 0.46
SCN5A Q14524 8/20 0.41
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALDH1A2 O94788 1/20 0.37
ALDH1A3 P47895 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL11389155 0.80 MET (0.61) METRETPIM1FGFR1FLT1
SCHEMBL4078175 0.76 KDM4E (0.65) ALDH1A1KDM4E
SCHEMBL2697895 0.72 MET (1.00) METRETPIM1FGFR1FLT1
SCHEMBL10242240 0.72 MET (0.76) METRETPIM1FGFR1FLT1
SCHEMBL16331148 0.72 RET (0.66) METRETPIM1FGFR1FLT1
SCHEMBL16331593 0.70 RET (0.64) METRETPIM1FGFR1FLT1
SCHEMBL23547235 0.67 PIM1 (0.58) METRETPIM1FGFR1FLT1
SCHEMBL11165543 0.67 MAPK14 (0.52) METRETPIM1FGFR1FLT1
SCHEMBL12909217 0.66 MET (0.49) METRETPIM1FGFR1FLT1
SCHEMBL17289070 0.66 AVPR1A (0.50) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017438-B1 SUBSTITUTED 3-ALKYL-6-PHENYL-1,2,4-TRIAZOLO(4,3-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-03-02 EP disclosed
EP-0017438-B1 SUBSTITUTED 3-ALKYL-6-PHENYL-1,2,4-TRIAZOLO(4,3-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-03-02 EP disclosed
US-4242515-A Substituted 3-alkyl-6-phenyl-1,2,4-triazolo-[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-12-30 US disclosed
US-4242515-A Substituted 3-alkyl-6-phenyl-1,2,4-triazolo-[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-12-30 US disclosed
EP-0017438-A1 Substituted 3-alkyl-6-phenyl-1,2,4-triazolo(4,3-a)pyridines, processes for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-10-15 EP disclosed
EP-0017438-A1 Substituted 3-alkyl-6-phenyl-1,2,4-triazolo(4,3-a)pyridines, processes for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-10-15 EP disclosed