SCHEMBL6099989

SCHEMBL6099989

Cc1[nH]c(C=C2C(=O)NN=C2C2CC2)c(C(C)C)c1CN1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 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
SCHEMBL6099985 1.00 CHEK1 (0.35) CHEK1KMT2AHSD17B10MEN1L3MBTL1
SCHEMBL6088659 0.89 PDGFRB (0.39) CHEK1
SCHEMBL6088656 0.89 PDGFRB (0.39) CHEK1
SCHEMBL6091252 0.88 PDGFRB (0.36) CHEK1
SCHEMBL6091257 0.88 PDGFRB (0.36) CHEK1
SCHEMBL6091081 0.87 CHEK1 (0.43) CHEK1KMT2AHSD17B10MEN1L3MBTL1
SCHEMBL6091076 0.87 CHEK1 (0.43) CHEK1KMT2AHSD17B10MEN1L3MBTL1
SCHEMBL6099973 0.87 CHEK1 (0.36) CHEK1KMT2AHSD17B10MEN1L3MBTL1
SCHEMBL6099975 0.87 CHEK1 (0.36) CHEK1KMT2AHSD17B10MEN1L3MBTL1
SCHEMBL6092256 0.83 CHEK1 (0.42) CHEK1

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
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