SCHEMBL11116417

SCHEMBL11116417

Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)CCBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.57
▸ CDK8 P49336 3/20 0.57
▸ NTRK3 Q16288 3/20 0.57
▸ NTRK2 Q16620 3/20 0.57
▸ AURKB Q96GD4 2/20 0.57
▸ ROCK1 Q13464 2/20 0.57
▸ MET P08581 1/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.57
▸ NTRK1 P04629 2/20 0.54
▸ RET P07949 2/20 0.54
▸ MAPK14 Q16539 2/20 0.54
▸ LTK P29376 1/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ PDE3B Q13370 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ PDGFRA P16234 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ NPC1 O15118 3/20 0.41

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
SCHEMBL11116211 0.91 PDGFRB (0.58) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11130962 0.90 PDGFRB (0.60) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11119334 0.90 ROCK1 (0.60) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11134753 0.90 ROCK1 (0.60) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11119511 0.89 PDGFRB (0.58) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL10412999 0.88 PDGFRB (0.60) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11120109 0.87 PDGFRB (0.56) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11119155 0.86 ROCK1 (0.61) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11117812 0.86 PDGFRB (0.61) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11119270 0.86 PDGFRB (0.55) PDGFRBCDK8NTRK3NTRK2AURKB

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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