SCHEMBL6089728

SCHEMBL6089728

CCc1c(C)[nH]c(/C=C2/C(=O)NN=C2OC(C)C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.48
KDR P35968 9/20 0.40
PDGFRB P09619 7/20 0.38
FGFR1 P11362 7/20 0.34
RET P07949 3/20 0.34
FLT3 P36888 3/20 0.34
AURKA O14965 2/20 0.34
FLT1 P17948 2/20 0.34
MAP4K2 Q12851 2/20 0.34
STK3 Q13188 2/20 0.34
AURKB Q96GD4 2/20 0.34
ALK Q9UM73 2/20 0.34
GAK O14976 1/20 0.34
RPS6KA5 O75582 1/20 0.34
RPS6KA4 O75676 1/20 0.34
LATS1 O95835 1/20 0.34
CSNK2A2 P19784 1/20 0.34
MAP2K2 P36507 1/20 0.34
ZAP70 P43403 1/20 0.34
MAP2K1 Q02750 1/20 0.34

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
SCHEMBL6089734 1.00 CHEK1 (0.48) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL6089109 0.88 CHEK1 (0.46) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL6089106 0.88 CHEK1 (0.46) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL6088633 0.88 KDR (0.46) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL6088630 0.88 KDR (0.46) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL6090993 0.86 KDR (0.58) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL6088640 0.84 CHEK1 (0.46) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL6088732 0.81 CHEK1 (0.46) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL6088727 0.81 CHEK1 (0.46) CHEK1KDRPDGFRBFGFR1RET
SCHEMBL6089313 0.81 CHEK1 (0.41) CHEK1KDRPDGFRBFGFR1RET

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