SCHEMBL19903831

SCHEMBL19903831

Cc1cnc2ncc(-c3cccc(F)c3)nn12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.49
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
PIM1 P11309 1/20 0.43
IDO1 P14902 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
PDE10A Q9Y233 1/20 0.42
MET P08581 1/20 0.40
HPGDS O60760 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL11511523 0.83 FYN (0.47) FYNBCHEACHEPIM1KDM4E
SCHEMBL23535571 0.81 FYN (0.64) FYN
SCHEMBL4497709 0.77 MET (0.50) FYNBCHEACHEIDO1MET
SCHEMBL19903870 0.73 MET (0.48) PIM1KDM4EHSD17B10MET
SCHEMBL23535554 0.69 FYN (0.83) FYN
SCHEMBL842168 0.68 CYP2A6 (0.57) BCHEACHEPIM1IDO1KDM4E
SCHEMBL328396 0.68 HPGDS (0.56) BCHEACHEPIM1IDO1MET
SCHEMBL11628686 0.68 KDM4E (0.69) FYNKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL11469493 0.68 MAP4K4 (0.49) FYNGAA
SCHEMBL102704 0.68 FYN (0.87) FYN

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
EP-3287449-A2 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)- IMIDAZO[1,2-B][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME Incyte Holdings Corporation (US) 2018-02-28 EP disclosed