SCHEMBL6088802

SCHEMBL6088802

CCOC(=O)c1c(C)[nH]c(C=C2C(=O)NN=C2CCc2ccc(N)cc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.54
RET P07949 1/20 0.54
PDGFRB P09619 1/20 0.54
FGFR1 P11362 1/20 0.54
FLT3 P36888 1/20 0.54
ALK Q9UM73 1/20 0.54
CHEK1 O14757 1/20 0.42
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CSF1R P07333 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 4/20 0.37
HK1 P19367 2/20 0.37
HKDC1 Q2TB90 2/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL6092643 0.89 PDGFRB (0.43) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6089552 0.84 JAK2 (0.40) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6089558 0.84 JAK2 (0.40) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6089845 0.83 HTR6 (0.41) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6089849 0.83 HTR6 (0.41) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6091015 0.82 CHEK1 (0.52) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6088190 0.81 ABL1 (0.57) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6088795 0.81 ABL1 (0.52) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6089306 0.81 PDGFRB (0.44) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6089296 0.81 PDGFRB (0.44) ABL1RETPDGFRBFGFR1FLT3

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