SCHEMBL6092234

SCHEMBL6092234

CCN(CC)Cc1c(C)[nH]c(/C=C2/C(=O)NN=C2c2ncccn2)c1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
CHEK1 O14757 3/20 0.49
PDGFRB P09619 2/20 0.30
FGFR1 P11362 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 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
SCHEMBL6092238 1.00 KDR (0.49) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6090839 0.92 KDR (0.49) KDRCHEK1
SCHEMBL6090849 0.92 KDR (0.49) KDRCHEK1
SCHEMBL6090367 0.88 KDR (0.59) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6090374 0.88 KDR (0.59) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6089129 0.85 KDR (0.69) KDRCHEK1
SCHEMBL6087913 0.85 KDR (0.48) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6089119 0.85 KDR (0.69) KDRCHEK1
SCHEMBL6087910 0.85 KDR (0.48) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6090334 0.84 KDR (0.51) KDRCHEK1

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