SCHEMBL6090824

SCHEMBL6090824

CC(C1=NNC(=O)/C1=C/c1cn(CCCCO)c2ccccc12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.44
KMT2A Q03164 7/20 0.42
DHFR P00374 4/20 0.42
MEN1 O00255 5/20 0.42
POLB P06746 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NTRK1 P04629 3/20 0.41
MAP3K5 Q99683 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 2/20 0.41
NTRK3 Q16288 2/20 0.41
NTRK2 Q16620 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AURKA O14965 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
INSR P06213 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
SCHEMBL6090516 0.83 KMT2A (0.48) KDRKMT2ADHFRMEN1POLB
SCHEMBL6090511 0.83 KMT2A (0.48) KDRKMT2ADHFRMEN1POLB
SCHEMBL6089202 0.82 DHFR (0.43) KDRKMT2ADHFRMEN1POLB
SCHEMBL6089206 0.82 DHFR (0.43) KDRKMT2ADHFRMEN1POLB
SCHEMBL6092285 0.81 KMT2A (0.45) KDRKMT2ADHFRMEN1POLB
SCHEMBL6092288 0.81 KMT2A (0.45) KDRKMT2ADHFRMEN1POLB
SCHEMBL6089028 0.81 GSK3B (0.42) KDRKMT2AMEN1NTRK1MAPT
SCHEMBL6089036 0.81 GSK3B (0.42) KDRKMT2AMEN1NTRK1MAPT
SCHEMBL6089689 0.81 KDR (0.52) KDRKMT2AMEN1CRHBPCRHR2
SCHEMBL6089682 0.81 KDR (0.52) KDRKMT2AMEN1CRHBPCRHR2

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