SCHEMBL6090301

SCHEMBL6090301

Cc1[nH]c(C=C2C(=O)NN=C2c2cnccn2)c(C)c1CN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.65
CHEK1 O14757 3/20 0.65
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
ACHE P22303 1/20 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
SCHEMBL6090286 1.00 KDR (0.65) KDRCHEK1PDGFRBFGFR1KMT2A
SCHEMBL6090387 0.99 KDR (0.66) KDRCHEK1PDGFRBFGFR1KMT2A
SCHEMBL6090377 0.99 KDR (0.66) KDRCHEK1PDGFRBFGFR1KMT2A
SCHEMBL6098230 0.92 KDR (0.64) KDRCHEK1PDGFRBFGFR1
SCHEMBL6098247 0.92 KDR (0.64) KDRCHEK1PDGFRBFGFR1
SCHEMBL6088221 0.91 KDR (0.63) KDRCHEK1PDGFRBFGFR1HSD17B10
SCHEMBL6088205 0.91 KDR (0.63) KDRCHEK1PDGFRBFGFR1HSD17B10
SCHEMBL6091287 0.90 KDR (0.62) KDRCHEK1PDGFRBFGFR1
SCHEMBL6091274 0.90 KDR (0.62) KDRCHEK1PDGFRBFGFR1
SCHEMBL6100513 0.88 KDR (0.55) KDRCHEK1KMT2AHSD17B10HRH3

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