SCHEMBL6092385

SCHEMBL6092385

Cn1cc(C=C2C(=O)NN=C2c2cccs2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.71
ALK Q9UM73 1/20 0.64
MEN1 O00255 1/20 0.54
CRHBP P24387 1/20 0.54
KMT2A Q03164 1/20 0.54
CRHR2 Q13324 1/20 0.54
NTRK1 P04629 2/20 0.53
MAP3K5 Q99683 1/20 0.53
HDAC6 Q9UBN7 1/20 0.51
NTRK3 Q16288 1/20 0.51
NTRK2 Q16620 1/20 0.51

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
SCHEMBL6092383 1.00 KDR (0.71) KDRALKMEN1CRHBPKMT2A
SCHEMBL6088397 0.79 KMT2A (0.64) KDRALKMEN1CRHBPKMT2A
SCHEMBL6088402 0.79 KMT2A (0.64) KDRALKMEN1CRHBPKMT2A
SCHEMBL6091700 0.78 KDR (0.65) KDRALKMEN1CRHBPKMT2A
SCHEMBL6091704 0.78 KDR (0.65) KDRALKMEN1CRHBPKMT2A
SCHEMBL6091472 0.77 KDR (0.67) KDRALKMEN1CRHBPKMT2A
SCHEMBL6091485 0.77 KDR (0.67) KDRALKMEN1CRHBPKMT2A
SCHEMBL6090428 0.77 KDR (0.73) KDRALKMEN1CRHBPKMT2A
SCHEMBL6088819 0.77 KDR (0.64) KDRALKMEN1CRHBPKMT2A
SCHEMBL6090432 0.77 KDR (0.73) KDRALKMEN1CRHBPKMT2A

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