SCHEMBL3203064

SCHEMBL3203064

Fc1ccc(-c2cnc3nnc(C4(c5ccc6c(c5)OCO6)C=C4)n3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.48
MET P08581 11/20 0.43
USP2 O75604 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL837261 0.88 FYN (0.48) FYNMETUSP2HSD17B10MEN1
SCHEMBL837275 0.70 HSD11B1 (0.50) METCYP3A4CYP2D6
SCHEMBL838283 0.70 MET (0.57) MET
SCHEMBL836770 0.70 MET (0.47) FYNMET
SCHEMBL836676 0.68 MET (0.60) FYNMET
SCHEMBL836679 0.67 MET (0.48) FYNMET
SCHEMBL837294 0.67 MET (0.60) MET
SCHEMBL834597 0.66 MET (0.46) METMAPT
SCHEMBL836940 0.66 MET (0.46) METALDH1A1MAPT
SCHEMBL18613446 0.66 FYN (1.00) FYNDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 US claimed