SCHEMBL9025183

SCHEMBL9025183

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 11/20 0.38
▸ TOP2A P11388 6/20 0.35
▸ NQO1 P15559 8/20 0.35
▸ HASPIN Q8TF76 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ UTS2R Q9UKP6 1/20 0.33

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
SCHEMBL9025524 0.96 TOP2A (0.38) NQO2TOP2ANQO1HASPINDYRK2
SCHEMBL9024397 0.95 TOP2A (0.40) NQO2TOP2ANQO1HASPINDYRK2
SCHEMBL9024084 0.92 NQO2 (0.37) NQO2TOP2ANQO1HASPINDYRK2
SCHEMBL9024054 0.91 TOP2A (0.38) NQO2TOP2AHASPINDYRK2BRD4
SCHEMBL8546736 0.89 NQO2 (0.43) NQO2TOP2ANQO1
SCHEMBL9025537 0.88 TOP2A (0.36) TOP2AHASPINDYRK2BRD4
SCHEMBL9032596 0.87 NQO2 (0.46) NQO2NQO1
SCHEMBL9024437 0.86 NQO2 (0.37) NQO2NQO1
SCHEMBL9024175 0.84 NQO2 (0.40) NQO2NQO1
SCHEMBL9024703 0.83 NQO2 (0.48) NQO2NQO1

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 3 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
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 — — EP disclosed
Send feedback