SCHEMBL21387732

SCHEMBL21387732

Cc1ncnc(-c2ccc3[nH]cnc3c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MMP12 P39900 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ QPCT Q16769 5/20 0.33
▸ QPCTL Q9NXS2 3/20 0.33
▸ TBK1 Q9UHD2 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33

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
SCHEMBL22901539 0.85 KDM4E (0.40) BRD4CREBBPKDM4EMAPTALDH1A1
SCHEMBL21565693 0.83 KDM5B (0.37) BRD4CREBBPKDM4EMAPTALDH1A1
SCHEMBL21387779 0.78 QPCT (0.38) BRD4CREBBPKDM4EMAPTALDH1A1
SCHEMBL21373612 0.77 BRD4 (0.35) BRD4CREBBPKDM4EMAPTALDH1A1
SCHEMBL31143361 0.76 MAPT (0.50) BRD4CREBBPKDM4EMAPTALDH1A1
SCHEMBL6008269 0.76 MAPT (0.50) BRD4CREBBPKDM4EMAPTALDH1A1
SCHEMBL21387783 0.75 BRD4 (0.38) BRD4CREBBPKDM4EMAPTALDH1A1
SCHEMBL13373486 0.74 PARP1 (0.46) BRD4CREBBPKDM4EMAPTALDH1A1
SCHEMBL21565690 0.71 QPCT (0.36) BRD4CREBBPKDM4EMAPTALDH1A1
SCHEMBL21565697 0.71 KDM5B (0.37) BRD4CREBBPKDM4EMAPTALDH1A1

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-3568133-B1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH ZUERICH (CH) 2023-12-13 — — EP disclosed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 — — WO disclosed
EP-3543231-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2019-09-25 — — EP disclosed
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