SCHEMBL12470752

SCHEMBL12470752

NNC(=O)Cc1c(F)cc2ncc(N3CCOCC3)cc2c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.43
AKR1C3 P42330 1/20 0.40
MET P08581 3/20 0.39
KCNH2 Q12809 3/20 0.39
STAT6 P42226 4/20 0.38
FLT3 P36888 1/20 0.37
BTK Q06187 1/20 0.37
SRC P12931 1/20 0.37
PRKDC P78527 3/20 0.37
MAPK1 P28482 2/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL12470487 0.85 MAPT (0.41) AKR1C3METKCNH2PRKDC
SCHEMBL3162336 0.76 PLA2G2A (0.35) METMAPK1
SCHEMBL1163294 0.70 MET (0.44) MET
SCHEMBL18395216 0.66 AKR1C3 (0.45) AOC3AKR1C3MAPK1
SCHEMBL18394827 0.64 POLB (0.48) AKR1C3MAPK1JAK2JAK1TYK2
SCHEMBL1432612 0.63 AOC3 (0.73) AOC3
SCHEMBL18412765 0.63 ALDH1A1 (0.48) AKR1C3PRKDCMAPK1JAK2JAK1
SCHEMBL18394825 0.63 TP53 (0.49) AOC3FLT3BTK
SCHEMBL28907058 0.63 GSK3B (0.52) AKR1C3SRCMAPK1JAK2JAK1
SCHEMBL24532111 0.63 MEN1 (0.61) KCNH2PRKDCMAPK1

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-2673277-A1 [1, 2, 4]TRIAZOLO [4, 3 -B]PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE Novartis AG (CH) 2013-12-18 EP disclosed
WO-2012107500-A1 [1, 2, 4] TRIAZOLO [4, 3 -B] PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE NOVARTIS AG (CH) 2012-08-16 WO disclosed