SCHEMBL2581492

SCHEMBL2581492

Cc1c(Cc2ccc(-c3cnn(C(C)C)c3)cc2)c(OC(F)F)nc2c(Cl)ccc([O])c12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.34
GRIN2B Q13224 4/20 0.34
MET P08581 1/20 0.33
JAK2 O60674 5/20 0.33
FLT3 P36888 4/20 0.33
PTGES O14684 1/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL2571385 0.86 PTGDR2 (0.41) KCNH2GRIN2BMETJAK2FLT3
SCHEMBL2582687 0.85 ROCK2 (0.35) KCNH2GRIN2B
SCHEMBL2580572 0.84 TGFBR1 (0.32)
SCHEMBL2573868 0.83 PTGDR2 (0.33) KCNH2GRIN2BMETJAK2FLT3
SCHEMBL2579240 0.83 PTGDR2 (0.34)
SCHEMBL533986 0.80 AR (0.36)
SCHEMBL2574953 0.78 PTGDR2 (0.44)
SCHEMBL2580081 0.77 USP1 (0.32) GRIN2B
SCHEMBL2570608 0.76 KCNH2 (0.36) KCNH2
SCHEMBL2580577 0.75 TGFBR1 (0.30)

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-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP claimed