SCHEMBL6091220

SCHEMBL6091220

COc1ccc(CC2=NNC(=O)C2=Cc2ccc[nH]2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 4/20 0.50
KDR P35968 5/20 0.45
FLT3 P36888 3/20 0.45
FLT4 P35916 1/20 0.45
PDPK1 O15530 5/20 0.42
CHEK1 O14757 3/20 0.41
CHEK2 O96017 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41

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
SCHEMBL6091218 1.00 TLK2 (0.50) TLK2KDRFLT3FLT4PDPK1
SCHEMBL6090940 0.85 TLK2 (0.49) TLK2KDRFLT3FLT4PDPK1
SCHEMBL6090945 0.85 TLK2 (0.49) TLK2KDRFLT3FLT4PDPK1
SCHEMBL6089470 0.85 TLK2 (0.49) TLK2KDRFLT3FLT4PDPK1
SCHEMBL6089463 0.85 TLK2 (0.49) TLK2KDRFLT3FLT4PDPK1
SCHEMBL6090287 0.82 PDPK1 (0.46) TLK2KDRFLT3FLT4PDPK1
SCHEMBL6088497 0.79 PDGFRB (0.46) TLK2KDRFLT3FLT4PDPK1
SCHEMBL6090123 0.79 CHEK1 (0.45) KDRFLT3CHEK1NTRK1CYP3A4
SCHEMBL6090115 0.79 CHEK1 (0.45) KDRFLT3CHEK1NTRK1CYP3A4
SCHEMBL6091697 0.78 TLK2 (0.48) TLK2KDRFLT3FLT4PDPK1

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