SCHEMBL29536685

SCHEMBL29536685

CSc1ncc2cc(Oc3ccc([N+](=O)[O-])cc3)c(Cl)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ PDE7A Q13946 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSPB1 P04792 2/20 0.38
▸ PIK3C3 Q8NEB9 2/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HASPIN Q8TF76 1/20 0.37
▸ TNFSF10 P50591 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 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
SCHEMBL25227659 1.00 ATM (0.43) ATMHTTLMNAMAPTPDE7A
SCHEMBL25229344 0.80 TDP1 (0.41) ATMHTTLMNAMAPTRAB9A
SCHEMBL25225454 0.77 HTT (0.41) ATMHTTLMNAMAPTRAB9A
SCHEMBL29536877 0.77 HTT (0.41) ATMHTTLMNAMAPTRAB9A
SCHEMBL25226268 0.71 MAPK8 (0.45) MAPT
SCHEMBL29536952 0.71 MAPK8 (0.45) MAPT
SCHEMBL6623300 0.71 HTT (0.49) ATMHTTLMNAMAPTPDE7A
SCHEMBL2763413 0.70 HTT (0.50) HTTLMNAMAPTRAB9AHSPB1
SCHEMBL6074658 0.68 MEN1 (0.44) HTTLMNAMAPTMEN1KMT2A
SCHEMBL29503599 0.68 MEN1 (0.44) HTTLMNAMAPTMEN1KMT2A

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-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 — — CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 — — EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 — — WO disclosed
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