SCHEMBL11120109

SCHEMBL11120109

CCCCC(=O)Nc1ccc(-c2n[nH]c(=O)cc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 2/20 0.56
▸ CDK8 P49336 2/20 0.56
▸ NTRK3 Q16288 2/20 0.56
▸ NTRK2 Q16620 2/20 0.56
▸ AURKB Q96GD4 2/20 0.56
▸ MET P08581 1/20 0.56
▸ ROCK1 Q13464 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NTRK1 P04629 1/20 0.51
▸ RET P07949 1/20 0.51
▸ LTK P29376 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ MAPT P10636 3/20 0.48
▸ POLB P06746 2/20 0.48

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
SCHEMBL11119511 0.93 PDGFRB (0.58) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11130962 0.89 PDGFRB (0.60) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11116211 0.88 PDGFRB (0.58) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11117812 0.88 PDGFRB (0.61) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11116417 0.87 PDGFRB (0.57) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL10412999 0.87 PDGFRB (0.60) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11120457 0.85 PDGFRB (0.53) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11119155 0.85 ROCK1 (0.61) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11119270 0.85 PDGFRB (0.55) PDGFRBCDK8NTRK3NTRK2AURKB
SCHEMBL11117204 0.84 PDGFRB (0.63) 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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