SCHEMBL19005813

SCHEMBL19005813

Cn1cc(-c2cnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)cn1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.80

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
SCHEMBL19005707 0.89 PARP1 (1.00) PARP1
SCHEMBL19005253 0.85 PARP1 (0.68) PARP1
SCHEMBL19005601 0.85 PARP1 (0.70) PARP1
SCHEMBL17783728 0.85 PARP1 (0.72) PARP1
SCHEMBL19005720 0.84 PARP1 (0.64) PARP1
SCHEMBL19005810 0.84 PARP1 (0.68) PARP1
SCHEMBL29263899 0.84 TNKS (0.78) PARP1
SCHEMBL30980029 0.84 TNKS (0.78) PARP1
SCHEMBL19005722 0.83 PARP1 (0.76) PARP1
SCHEMBL10025570 0.82 PARP1 (0.67) PARP1

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
CN-107207504-B Phthalazinone derivatives, preparation method and use thereof 四川科伦博泰生物医药股份有限公司 2020-03-10 CN claimed
CN-107207504-B Phthalazinone derivatives, preparation method and use thereof 四川科伦博泰生物医药股份有限公司 2020-03-10 CN disclosed
WO-2017101796-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed