SCHEMBL7014960

SCHEMBL7014960

Cc1ccc(-c2c(C#N)cnc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 4/20 0.49
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
GRM5 P41594 1/20 0.48
CDK1 P06493 2/20 0.44
KDR P35968 2/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
CHUK O15111 1/20 0.44
ROCK2 O75116 1/20 0.44
CHEK2 O96017 1/20 0.44
INSR P06213 1/20 0.44
CSF1R P07333 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR1 P11362 1/20 0.44
PRKACA P17612 1/20 0.44

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
SCHEMBL27687262 0.87 LRRK2 (0.51) LRRK2ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL7010214 0.81 LRRK2 (0.44) LRRK2ALDH1A1NPSR1HTTMAPT
SCHEMBL28261068 0.78 ALDH1A1 (0.54) ALDH1A1NPSR1HTTSMN1; SMN2MAPT
SCHEMBL4515509 0.77 GRM5 (0.45) LRRK2GRM5EGFRERBB2
SCHEMBL3151307 0.77 LRRK2 (0.58) LRRK2ALDH1A1CDK1KDRPLK4
SCHEMBL31054165 0.77 LRRK2 (0.45) LRRK2ALDH1A1NPSR1CDK1KDR
SCHEMBL1103260 0.75 HTT (0.48) ALDH1A1NPSR1HTTSMN1; SMN2MAPT
SCHEMBL1103411 0.73 ALDH1A1 (0.52) ALDH1A1NPSR1HTTSMN1; SMN2MAPT
SCHEMBL12156904 0.71 LRRK2 (0.72) LRRK2ALDH1A1MAP2K1RAF1CYP1A2
SCHEMBL601228 0.71 TDP1 (0.57) ALDH1A1NPSR1HTTSMN1; SMN2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed