SCHEMBL6088447

SCHEMBL6088447

Cc1[nH]c(/C=C2/C(=O)NN=C2c2ccnnc2)c(C2CC2)c1CCCN1C(C)CCC1C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.38
CHEK1 O14757 2/20 0.38
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL6088459 1.00 KDR (0.38) KDRCHEK1PDGFRBFGFR1
SCHEMBL7496935 0.88 KDR (0.39) KDRCHEK1PDGFRBFGFR1
SCHEMBL7496953 0.88 KDR (0.39) KDRCHEK1PDGFRBFGFR1
SCHEMBL6091325 0.86 KDR (0.37) KDRCHEK1PDGFRBFGFR1
SCHEMBL6091317 0.86 KDR (0.37) KDRCHEK1PDGFRBFGFR1
SCHEMBL6089472 0.86 KDR (0.37) KDRCHEK1PDGFRBFGFR1
SCHEMBL6089460 0.86 KDR (0.37) KDRCHEK1PDGFRBFGFR1
SCHEMBL6088139 0.85 KDR (0.39) KDRCHEK1PDGFRBFGFR1
SCHEMBL6087858 0.85 KDR (0.39) KDRCHEK1PDGFRBFGFR1
SCHEMBL6087874 0.85 KDR (0.39) KDRCHEK1PDGFRBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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