SCHEMBL10026445

SCHEMBL10026445

Sc1nnc2ccc(-c3cn[nH]c3)nn12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.47
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NT5E P21589 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 3/20 0.36
SCN5A Q14524 1/20 0.36
BRD4 O60885 1/20 0.36
CHEK1 O14757 2/20 0.35
CHEK2 O96017 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL14783326 0.74 NT5E (0.55) METAKT1AKT2NT5ECHEK1
SCHEMBL29393610 0.73 CHEK1 (0.41) METAKT1AKT2MAPK1CHEK1
SCHEMBL509620 0.72 FYN (0.53) MET
SCHEMBL4502162 0.69 FYN (0.52) METKDM4EHSD17B10CYP1A2
SCHEMBL16554996 0.68 DYRK1A (0.59) AKT1AKT2MAPK1CHEK1CHEK2
SCHEMBL4247015 0.68 KDM4E (0.64) METKDM4EHSD17B10MEN1KMT2A
SCHEMBL8646848 0.67 KDM4E (0.38) KDM4EHSD17B10BRD4MEN1KMT2A
SCHEMBL3740850 0.65 AKT2 (0.70) AKT1AKT2MAPK1CHEK1CHEK2
SCHEMBL31028985 0.65 KMT2A (0.52) AKT1AKT2MAPK1CHEK1CHEK2
SCHEMBL10763003 0.64 KDM4E (0.35) KDM4EHSD17B10BRD4MEN1KMT2A

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
WO-2012015677-A9 6-(1-METHYL-1H-PYRAZOL-4-YL)-3-(2-METHYL-2H-INDAZOL-5-YLTHIO)-[1,2,4] TRIAZOLO [4,3-B] PYRIDAZINE AS A C-MET INHIBITOR ELI LILLY AND COMPANY (US) 2012-12-13 WO disclosed
WO-2012015677-A1 6- (1-METHYL-1H-PYRAZOL-4-YL)-3-(2-METHYL-2H-INDAZOL-5- ELI LILLY AND COMPANY (US) 2012-02-02 WO disclosed