SCHEMBL2581497

SCHEMBL2581497

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 13/20 0.34
GRIN2B Q13224 5/20 0.33
MET P08581 1/20 0.33
JAK2 O60674 4/20 0.32
FLT3 P36888 3/20 0.32
PTGES O14684 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL2581492 0.90 KCNH2 (0.34) KCNH2GRIN2BMETJAK2FLT3
SCHEMBL2571385 0.86 PTGDR2 (0.41) KCNH2GRIN2BMETJAK2FLT3
SCHEMBL2580577 0.84 TGFBR1 (0.30)
SCHEMBL2573868 0.83 PTGDR2 (0.33) KCNH2GRIN2BMETJAK2FLT3
SCHEMBL2579246 0.82 PTGDR2 (0.34)
SCHEMBL533987 0.79 AR (0.36)
SCHEMBL2580083 0.77 GPR4 (0.32) GRIN2B
SCHEMBL2575500 0.75 KCNH2 (0.36) KCNH2
SCHEMBL2582687 0.75 ROCK2 (0.35) KCNH2GRIN2B
SCHEMBL2580572 0.75 TGFBR1 (0.32)

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 3 patents. 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
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 WO disclosed