SCHEMBL6089686

SCHEMBL6089686

Cn1cc(C=C2C(=O)NN=C2CCc2ccc(O)cc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.57
KDR P35968 3/20 0.52
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
NTRK1 P04629 4/20 0.50
MAP3K5 Q99683 1/20 0.50
MAPT P10636 5/20 0.48
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
AURKA O14965 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
INSR P06213 1/20 0.48
LCK P06239 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL6089390 0.92 MAPK14 (0.67) MAPK14KDRKMT2AMEN1CRHBP
SCHEMBL6089394 0.92 MAPK14 (0.67) MAPK14KDRKMT2AMEN1CRHBP
SCHEMBL6088258 0.90 MAPK14 (0.57) MAPK14KDRKMT2AMEN1CRHBP
SCHEMBL6090831 0.79 MAPK14 (0.49) MAPK14KDRKMT2AMEN1
SCHEMBL6089682 0.78 KDR (0.52) MAPK14KDRKMT2AMEN1CRHBP
SCHEMBL6089689 0.78 KDR (0.52) MAPK14KDRKMT2AMEN1CRHBP
SCHEMBL6091523 0.78 NTRK1 (0.47) KDRKMT2AMEN1NTRK1MAPT
SCHEMBL6089032 0.77 GSK3B (0.41) KDRKMT2AMEN1NTRK1MAPT
SCHEMBL6088397 0.77 KMT2A (0.64) MAPK14KDRKMT2AMEN1CRHBP
SCHEMBL6088402 0.77 KMT2A (0.64) MAPK14KDRKMT2AMEN1CRHBP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed