SCHEMBL18790685

SCHEMBL18790685

Cn1ncc2ccc(-c3cncc(N4CCN(CC(=O)O)CC4)n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 5/20 0.48
▸ PIM3 Q86V86 5/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ RAD52 P43351 1/20 0.44
▸ PIM1 P11309 2/20 0.43
▸ CSNK2A1 P68400 2/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ CDK8 P49336 2/20 0.42
▸ ERCC1 P07992 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ CCNC P24863 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41

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
SCHEMBL18790689 0.88 CYP11B2 (0.44) PIM2PIM3CYP11B2RAD52PIM1
SCHEMBL18790696 0.86 CYP11B2 (0.61) PIM2PIM3CYP11B2RAD52PIM1
SCHEMBL18790687 0.84 CYP11B2 (0.49) PIM2PIM3CYP11B2RAD52PIM1
SCHEMBL20514041 0.81 CYP11B2 (0.68) CYP11B2LRRK2DYRK1A
SCHEMBL18790686 0.80 PIM2 (0.57) PIM2PIM3PIM1
SCHEMBL20514060 0.79 PIM2 (0.42) PIM2PIM3CYP11B2RAD52PIM1
SCHEMBL17207634 0.76 CYP11B2 (0.68) CYP11B2
SCHEMBL20514040 0.73 CYP11B2 (0.43) PIM2PIM3CYP11B2RAD52PIM1
SCHEMBL18790985 0.73 CYP11B2 (0.48) PIM2CYP11B2RAD52PIM1CSNK2A1
SCHEMBL22236803 0.71 ROCK2 (0.56) PIM2PIM3PIM1CDK8DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — EP disclosed
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 — — WO disclosed
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