SCHEMBL9025537

SCHEMBL9025537

COc1cccc2c1c(=O)c1c(Br)ccc3c(CNCCN)nn2c31

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.36
▸ HASPIN Q8TF76 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ CHRM2 P08172 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 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
SCHEMBL9024054 0.92 TOP2A (0.38) TOP2AHASPINDYRK2CHRM2BRD4
SCHEMBL9023686 0.89 HTT (0.34) TOP2AHTR2AHTR2C
SCHEMBL9025183 0.88 NQO2 (0.38) TOP2AHASPINDYRK2BRD4
SCHEMBL9025524 0.86 TOP2A (0.38) TOP2AHASPINDYRK2CHRM2BRD4
SCHEMBL9024634 0.85 MAPT (0.32) —
SCHEMBL9024397 0.84 TOP2A (0.40) TOP2AHASPINDYRK2CHRM2BRD4
SCHEMBL9024132 0.84 ALDH1A1 (0.33) HASPINDYRK2MTNR1AMTNR1B
SCHEMBL9024084 0.83 NQO2 (0.37) TOP2AHASPINDYRK2CHRM2BRD4
SCHEMBL9023722 0.82 TOP2A (0.38) TOP2AHASPINDYRK2CHRM2
SCHEMBL8543080 0.78 MAPT (0.35) HASPINDYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347749-B1 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO KK (JP) 1996-04-24 — — EP disclosed
US-5079358-A Humans; leukemia KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-07 — — US disclosed
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