SCHEMBL6087629

SCHEMBL6087629

O=C1NN=C(Nc2ccc(Cl)cc2)/C1=C\c1ccc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.49
KDR P35968 5/20 0.47
FLT3 P36888 5/20 0.47
KIT P10721 2/20 0.47
FLT4 P35916 2/20 0.47
AURKB Q96GD4 2/20 0.43
PDPK1 O15530 6/20 0.42
NTRK1 P04629 4/20 0.42
RET P07949 2/20 0.42
JAK3 P52333 2/20 0.42
NTRK3 Q16288 2/20 0.42
SYK P43405 1/20 0.42
ATM Q13315 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42

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
SCHEMBL6087631 1.00 PDGFRB (0.49) PDGFRBKDRFLT3KITFLT4
SCHEMBL6088509 0.88 PDPK1 (0.48) PDGFRBKDRFLT3KITFLT4
SCHEMBL6088515 0.88 PDPK1 (0.48) PDGFRBKDRFLT3KITFLT4
SCHEMBL6089605 0.88 KDR (0.47) PDGFRBKDRFLT3KITFLT4
SCHEMBL6089610 0.88 KDR (0.47) PDGFRBKDRFLT3KITFLT4
SCHEMBL6091458 0.88 NTRK1 (0.47) PDGFRBKDRFLT3AURKBPDPK1
SCHEMBL6091459 0.88 NTRK1 (0.47) PDGFRBKDRFLT3AURKBPDPK1
SCHEMBL6091438 0.87 PDPK1 (0.40) PDGFRBKDRFLT3KITFLT4
SCHEMBL6091432 0.87 PDPK1 (0.40) PDGFRBKDRFLT3KITFLT4
SCHEMBL6090785 0.84 FLT3 (0.50) PDGFRBKDRFLT3KITFLT4

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