SCHEMBL4695518

SCHEMBL4695518

Clc1ccc(-c2cnc3ccc(NCCCN4CCOCC4)nn23)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 4/20 0.64
▸ PIM1 P11309 2/20 0.56
▸ FYN P06241 8/20 0.52
▸ IKBKB O14920 3/20 0.49
▸ CHUK O15111 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL4692325 0.91 FYN (0.58) MKNK1PIM1FYNIKBKB
SCHEMBL3648939 0.90 PIM1 (0.62) MKNK1PIM1FYNHSD17B10MAPK1
Hydrochloric Acid SCHEMBL3452909 0.89 PIM1 (0.61) MKNK1PIM1FYNHSD17B10MAPK1
SCHEMBL3642279 0.88 PIM1 (0.64) PIM1FYN
SCHEMBL13110863 0.85 PIM1 (0.49) MKNK1PIM1FYNMAPTKDM4E
SCHEMBL4694760 0.85 FYN (0.64) MKNK1PIM1FYN
SCHEMBL1054955 0.84 PIM1 (0.62) MKNK1PIM1FYN
SCHEMBL13234779 0.84 FYN (0.65) MKNK1PIM1FYNIKBKBCHUK
Hydrochloric Acid SCHEMBL3453189 0.84 PIM1 (0.48) MKNK1PIM1FYNMAPTKDM4E
SCHEMBL4695530 0.84 FYN (0.74) PIM1FYNMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 — — EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 — — WO claimed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 — — EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 — — WO disclosed
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