SCHEMBL6089477

SCHEMBL6089477

CCCOC1=NNC(=O)/C1=C\c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.49
RET P07949 3/20 0.49
PRKD3 O94806 2/20 0.49
ABL1 P00519 2/20 0.49
PDGFRB P09619 2/20 0.49
LTK P29376 2/20 0.49
KDR P35968 2/20 0.49
FLT3 P36888 2/20 0.49
CSNK1A1 P48729 2/20 0.49
CDK7 P50613 2/20 0.49
MAP2K1 Q02750 2/20 0.49
MST1R Q04912 2/20 0.49
NTRK3 Q16288 2/20 0.49
NTRK2 Q16620 2/20 0.49
AURKB Q96GD4 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
ALK Q9UM73 2/20 0.49
DAPK3 O43293 1/20 0.49
MAP4K4 O95819 1/20 0.49
LCK P06239 1/20 0.49

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
SCHEMBL6089479 1.00 NTRK1 (0.49) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL6089756 0.91 NTRK1 (0.51) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL6089750 0.91 NTRK1 (0.51) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL6090552 0.81 NTRK1 (0.51) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL6090547 0.81 NTRK1 (0.51) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL6087595 0.80 NTRK1 (0.52) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL6087592 0.80 NTRK1 (0.52) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL6089820 0.79 NTRK1 (0.51) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL6089825 0.79 NTRK1 (0.51) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL6090609 0.78 NTRK1 (0.58) NTRK1RETPRKD3ABL1PDGFRB

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