SCHEMBL6090273

SCHEMBL6090273

Cc1[nH]c(/C=C2/C(=O)NN=C2C2CC2)c(C(C)C)c1CCCCN(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.36
KDR P35968 1/20 0.33
SRC P12931 4/20 0.33

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
SCHEMBL6090280 1.00 CHEK1 (0.36) CHEK1KDRSRC
SCHEMBL6092256 0.89 CHEK1 (0.42) CHEK1KDR
SCHEMBL6091257 0.83 PDGFRB (0.36) CHEK1KDR
SCHEMBL6091252 0.83 PDGFRB (0.36) CHEK1KDR
SCHEMBL6088656 0.83 PDGFRB (0.39) CHEK1KDRSRC
SCHEMBL6088659 0.83 PDGFRB (0.39) CHEK1KDRSRC
SCHEMBL6090305 0.82 CHEK1 (0.36) CHEK1KDR
SCHEMBL6090302 0.82 CHEK1 (0.36) CHEK1KDR
SCHEMBL6090616 0.82 CHEK1 (0.38) CHEK1KDR
SCHEMBL6090620 0.82 CHEK1 (0.38) CHEK1KDR

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