SCHEMBL1287024

SCHEMBL1287024

COC(=O)c1ccnc(CN2CCn3c(nnc3C(F)(F)F)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.48
▸ DPP4 P27487 6/20 0.45
▸ RORC P51449 2/20 0.42
▸ KDM5C P41229 2/20 0.41
▸ KDM4C Q9H3R0 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ KDM2A Q9Y2K7 1/20 0.40
▸ KDM3A Q9Y4C1 1/20 0.40
▸ CYP8B1 Q9UNU6 5/20 0.39
▸ RIPK1 Q13546 2/20 0.39
▸ AMY1A P0DUB6 3/20 0.39
▸ PTPN1 P18031 3/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ PARP3 Q9Y6F1 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ BRAF P15056 1/20 0.38

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
SCHEMBL9736097 0.77 KDM4C (0.54) KDM5CKDM4CKDM4EKDM6BKDM2A
SCHEMBL17144910 0.76 JMJD6 (0.42) KDM5CKDM4CKDM4EKDM6BKDM2A
SCHEMBL1287025 0.72 KDM5C (0.51) KDM5CKDM4CKDM4EKDM6BKDM2A
SCHEMBL1287113 0.72 NPC1 (0.45) KDM5CKDM4CKDM4EKDM6BKDM2A
SCHEMBL1287029 0.70 KDM4C (0.44) KDM5CKDM4CKDM4EKDM6BKDM2A
SCHEMBL1287060 0.70 KDM4C (0.41) KDM5CKDM4CKDM4EKDM6BKDM2A
SCHEMBL6017370 0.70 ALDH1A1 (0.47) KDM5CKDM4CKDM4EKDM6BKDM2A
SCHEMBL16380629 0.69 BRD4 (0.52) BRD4DPP4EGFRRAF1BRAF
SCHEMBL1286996 0.69 KDM4C (0.44) KDM5CKDM4CKDM4EKDM6BKDM2A
SCHEMBL23990564 0.68 KDM4E (0.51) KDM5CKDM4CKDM4EKDM6BKDM2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012047156-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS PLASMINOGEN INHIBITORS AND THEIR USE IN THE TREATMENT OF FIBRINOLYSIS RELATED DISEASES ASTRAZENECA AB (SE) 2012-04-12 — — WO disclosed
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