SCHEMBL11488779

SCHEMBL11488779

CCc1nnc2ccc(-c3ccc(F)cc3)cn12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.67
SCN5A Q14524 8/20 0.60
MET P08581 1/20 0.46
RET P07949 1/20 0.45
PIM1 P11309 1/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
PIM3 Q86V86 1/20 0.45
ALK Q9UM73 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCN1A P35498 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
SCHEMBL13687352 0.86 MAPK14 (0.58) MAPK14SCN5AKDM4EALDH1A1HPGD
SCHEMBL11165543 0.85 MAPK14 (0.52) MAPK14SCN5AMETRETPIM1
SCHEMBL11158736 0.84 MAPK14 (0.51) MAPK14SCN5AMETRETPIM1
SCHEMBL5773810 0.81 MAPK14 (1.00) MAPK14
SCHEMBL11158713 0.81 SCN5A (0.65) MAPK14SCN5AMETRETPIM1
SCHEMBL11472924 0.81 SCN5A (0.63) MAPK14SCN5AMETRETPIM1
SCHEMBL5765239 0.80 MAPK14 (0.53) MAPK14SCN5AHPGD
SCHEMBL11159446 0.79 MAPK14 (0.53) MAPK14SCN5AMETRETPIM1
SCHEMBL11415066 0.78 SCN5A (0.61) MAPK14SCN5ARETPIM1FGFR1
SCHEMBL11162950 0.78 MAPT (0.47) MAPK14SCN5AMETRETPIM1

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
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