SCHEMBL6090624

SCHEMBL6090624

CCN(CC)CCCc1c(C)[nH]c(/C=C2/C(=O)NN=C2c2ccnnc2)c1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.49
CHEK1 O14757 2/20 0.49
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PDGFRB P09619 1/20 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
SCHEMBL6090636 1.00 KDR (0.49) KDRCHEK1ALDH1A1LMNAPDGFRB
SCHEMBL6090530 0.91 KDR (0.45) KDRCHEK1ALDH1A1LMNA
SCHEMBL6090537 0.91 KDR (0.45) KDRCHEK1ALDH1A1LMNA
SCHEMBL6091907 0.88 KDR (0.51) KDRCHEK1
SCHEMBL6091903 0.88 KDR (0.51) KDRCHEK1
SCHEMBL6090747 0.86 KDR (0.44) KDRCHEK1
SCHEMBL6088930 0.85 KDR (0.51) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6088911 0.85 KDR (0.51) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6088898 0.84 KDR (0.51) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6088447 0.84 KDR (0.38) 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 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