SCHEMBL6089782

SCHEMBL6089782

Cc1[nH]c(C=C2C(=O)NN=C2c2cccnn2)c(C(C)C)c1CCCCN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
CHEK1 O14757 2/20 0.37
HRH1 P35367 1/20 0.30

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
SCHEMBL6089772 1.00 KDR (0.38) KDRPDGFRBFGFR1CHEK1HRH1
SCHEMBL6089247 0.97 KDR (0.41) KDRPDGFRBFGFR1CHEK1
SCHEMBL6089241 0.97 KDR (0.41) KDRPDGFRBFGFR1CHEK1
SCHEMBL6099578 0.89 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6099584 0.89 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6090240 0.87 KDR (0.39) KDRPDGFRBFGFR1CHEK1HRH1
SCHEMBL6090254 0.87 KDR (0.39) KDRPDGFRBFGFR1CHEK1HRH1
SCHEMBL6089816 0.86 KDR (0.40) KDRPDGFRBFGFR1CHEK1HRH1
SCHEMBL6089808 0.86 KDR (0.40) KDRPDGFRBFGFR1CHEK1HRH1
SCHEMBL6088165 0.86 KDR (0.37) KDRPDGFRBFGFR1CHEK1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP claimed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO claimed
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed