SCHEMBL3819633

SCHEMBL3819633

COc1cccc2c1N(C(=O)c1nc3c(s1)C(=O)C=C(NCCCN(C)CCCNC1=CC(=O)c4sc(C)nc4C1=O)C3=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
CDC25C P30307 1/20 0.44
CDK4 P11802 9/20 0.37
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
THRB P10828 1/20 0.34
CCND1 P24385 1/20 0.34
BLM P54132 1/20 0.34
KMT5A Q9NQR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
TRPC6 Q9Y210 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4652976 0.90 CDC25A (0.46) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2404462 0.86 CDC25A (0.45) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2399469 0.82 HSD17B10 (0.43) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2398451 0.78 CDK4 (0.48) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2403283 0.77 CDC25A (0.52) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL3546262 0.76 CDC25A (0.46) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2398380 0.74 CDC25A (0.77) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2398480 0.73 CDK4 (0.56) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2401270 0.73 HPGD (0.48) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL2403315 0.72 CDC25A (0.59) CDC25ACDC25BCDC25CCDK4MEN1

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
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP claimed