SCHEMBL9025524

SCHEMBL9025524

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 5/20 0.38
▸ NQO2 P16083 9/20 0.37
▸ HASPIN Q8TF76 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ HEXA P06865 1/20 0.35
▸ HEXB P07686 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ NQO1 P15559 7/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ UTS2R Q9UKP6 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32

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
SCHEMBL9025183 0.96 NQO2 (0.38) TOP2ANQO2HASPINDYRK2NQO1
SCHEMBL9024084 0.96 NQO2 (0.37) TOP2ANQO2HASPINDYRK2HEXA
SCHEMBL9024397 0.95 TOP2A (0.40) TOP2ANQO2HASPINDYRK2HEXA
SCHEMBL9024054 0.90 TOP2A (0.38) TOP2ANQO2HASPINDYRK2HEXA
SCHEMBL9023814 0.86 NQO2 (0.36) TOP2ANQO2NQO1
SCHEMBL9025537 0.86 TOP2A (0.36) TOP2AHASPINDYRK2CHRM2BRD4
SCHEMBL9023748 0.86 NQO2 (0.40) NQO2NQO1
SCHEMBL9032596 0.86 NQO2 (0.46) NQO2NQO1
SCHEMBL8546736 0.85 NQO2 (0.43) TOP2ANQO2NQO1
SCHEMBL9024127 0.83 TOP2A (0.40) TOP2ANQO2CHRM2NQO1ADRA1A

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
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