SCHEMBL11115663

SCHEMBL11115663

CCC(Cl)(Cl)C(=O)Nc1ccc(-c2n[nH]c(=O)cc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 8/20 0.58
▸ PDGFRB P09619 3/20 0.58
▸ CDK8 P49336 3/20 0.58
▸ NTRK3 Q16288 3/20 0.58
▸ NTRK2 Q16620 3/20 0.58
▸ AURKB Q96GD4 2/20 0.58
▸ MET P08581 1/20 0.58
▸ CLK4 Q9HAZ1 1/20 0.58
▸ NTRK1 P04629 2/20 0.53
▸ RET P07949 2/20 0.53
▸ MAPK14 Q16539 2/20 0.53
▸ LTK P29376 1/20 0.53
▸ FLT3 P36888 1/20 0.53
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ KDR P35968 2/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39

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
SCHEMBL11132855 0.87 ROCK1 (0.61) ROCK1PDGFRBCDK8NTRK3NTRK2
SCHEMBL11118719 0.87 ROCK1 (0.61) ROCK1PDGFRBCDK8NTRK3NTRK2
SCHEMBL11121608 0.86 PDGFRB (0.60) ROCK1PDGFRBCDK8NTRK3NTRK2
SCHEMBL11117079 0.84 PDGFRB (0.61) ROCK1PDGFRBCDK8NTRK3NTRK2
SCHEMBL11115357 0.84 PDGFRB (0.58) ROCK1PDGFRBCDK8NTRK3NTRK2
SCHEMBL11120927 0.83 PDGFRB (0.62) ROCK1PDGFRBCDK8NTRK3NTRK2
SCHEMBL11117812 0.82 PDGFRB (0.61) ROCK1PDGFRBCDK8NTRK3NTRK2
SCHEMBL11117204 0.81 PDGFRB (0.63) ROCK1PDGFRBCDK8NTRK3NTRK2
SCHEMBL11118744 0.80 PDGFRB (0.65) ROCK1PDGFRBCDK8NTRK3NTRK2
SCHEMBL11117742 0.80 PDGFRB (0.58) ROCK1PDGFRBCDK8NTRK3NTRK2

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-0116853-A1 Pyridazinones, processes for preparing them, therapeutical compositions containing these compounds and their use BASF Aktiengesellschaft (DE) 1984-08-29 — — EP disclosed
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