SCHEMBL6090243

SCHEMBL6090243

CCN(CC)CCc1c(C)[nH]c(C=C2C(=O)NN=C2c2cnccn2)c1-c1ccccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.78
CHEK1 O14757 2/20 0.78
PDGFRB P09619 4/20 0.33
FGFR1 P11362 2/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
EGFR P00533 1/20 0.32
PDGFRA P16234 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NR4A1 P22736 1/20 0.30
AURKA O14965 1/20 0.30
GAK O14976 1/20 0.30
RPS6KA5 O75582 1/20 0.30
RPS6KA4 O75676 1/20 0.30
LATS1 O95835 1/20 0.30
RET P07949 1/20 0.30
FLT1 P17948 1/20 0.30
CSNK2A2 P19784 1/20 0.30
MAP2K2 P36507 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
SCHEMBL6090206 1.00 KDR (0.78) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6088270 0.94 KDR (0.84) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6088236 0.94 KDR (0.84) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6091354 0.93 KDR (0.78) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6091371 0.93 KDR (0.78) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6089212 0.92 KDR (0.79) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6089147 0.92 KDR (0.79) KDRCHEK1PDGFRBFGFR1PRKAA2
SCHEMBL6090479 0.89 KDR (0.73) KDRCHEK1PDGFRBEGFRPDGFRA
SCHEMBL6090449 0.89 KDR (0.73) KDRCHEK1PDGFRBEGFRPDGFRA
SCHEMBL7490353 0.88 KDR (0.72) KDRCHEK1PDGFRBFGFR1PRKAA2

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