SCHEMBL9023748

SCHEMBL9023748

COc1cccc2c1c(=O)c1c(NCCNCCO)ccc3c(CNCCN(C)C)nn2c31

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 17/20 0.40
▸ NQO1 P15559 7/20 0.40
▸ FGFR1 P11362 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ MITF O75030 1/20 0.36

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
SCHEMBL9032596 0.93 NQO2 (0.46) NQO2NQO1MITF
SCHEMBL9024084 0.90 NQO2 (0.37) NQO2NQO1
SCHEMBL9024803 0.90 NQO2 (0.41) NQO2NQO1FGFR1KDRPDGFRA
SCHEMBL9025524 0.86 TOP2A (0.38) NQO2NQO1
SCHEMBL9024039 0.85 NQO2 (0.43) NQO2NQO1MITF
SCHEMBL8545422 0.84 NQO2 (0.42) NQO2NQO1MITF
SCHEMBL9023686 0.83 HTT (0.34) NQO2NQO1
SCHEMBL9024397 0.82 TOP2A (0.40) NQO2NQO1
SCHEMBL9025183 0.82 NQO2 (0.38) NQO2NQO1
SCHEMBL9023931 0.82 NQO2 (0.47) NQO2NQO1FGFR1KDRPDGFRA

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