SCHEMBL11117519

SCHEMBL11117519

Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)C(C)C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.55
▸ CDK8 P49336 3/20 0.55
▸ NTRK3 Q16288 3/20 0.55
▸ NTRK2 Q16620 3/20 0.55
▸ ROCK1 Q13464 3/20 0.55
▸ AURKB Q96GD4 2/20 0.55
▸ MET P08581 1/20 0.55
▸ CLK4 Q9HAZ1 1/20 0.55
▸ 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 0.45
▸ PDE3A Q14432 1/20 0.45
▸ PDGFRA P16234 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 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
SCHEMBL11117107 0.87 PDGFRB (0.61) PDGFRBCDK8NTRK3NTRK2ROCK1
SCHEMBL11117335 0.85 ROCK1 (0.60) PDGFRBCDK8NTRK3NTRK2ROCK1
SCHEMBL11121001 0.85 PDGFRB (0.53) PDGFRBCDK8NTRK3NTRK2ROCK1
SCHEMBL11117331 0.84 ROCK1 (0.61) PDGFRBCDK8NTRK3NTRK2ROCK1
SCHEMBL11114032 0.84 ROCK1 (0.58) PDGFRBCDK8NTRK3NTRK2ROCK1
SCHEMBL11117492 0.84 ROCK1 (0.58) PDGFRBCDK8NTRK3NTRK2ROCK1
SCHEMBL11120425 0.83 ROCK1 (0.63) PDGFRBCDK8NTRK3NTRK2ROCK1
SCHEMBL11118912 0.83 ROCK1 (0.60) PDGFRBCDK8NTRK3NTRK2ROCK1
SCHEMBL11115692 0.82 PDGFRB (0.56) PDGFRBCDK8NTRK3NTRK2ROCK1
SCHEMBL11122032 0.82 PDGFRB (0.56) PDGFRBCDK8NTRK3NTRK2ROCK1

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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