SCHEMBL879261

SCHEMBL879261

Bc1cccc2c1[nH]c1c2ccc2cc[nH]c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 3/20 0.46
AHR P35869 1/20 0.39
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
KEAP1 Q14145 1/20 0.35
PDPK1 O15530 1/20 0.34
KIF11 P52732 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TNF P01375 1/20 0.33
RIPK1 Q13546 1/20 0.33
PIM1 P11309 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL19732214 0.83 PIM1 (0.36) PIM3AHRKIF11PIM1PARP1
SCHEMBL844647 0.79 PIM3 (0.46) PIM3AHRCCNE2CDK4CCND1
SCHEMBL844649 0.79 PIM3 (0.54) PIM3AHRCCNE2CDK4CCND1
SCHEMBL20159135 0.77 AHR (0.56) AHRKEAP1PDPK1TNFRIPK1
SCHEMBL24562301 0.77 KIF11 (0.58) KEAP1KIF11
SCHEMBL844905 0.76 PIM3 (0.55) PIM3AHRCCNE2CDK4CCND1
SCHEMBL844635 0.76 PIM3 (0.56) PIM3AHRCCNE2CDK4CCND1
SCHEMBL844551 0.75 KIF11 (0.61) PIM3AHRCCNE2CDK4CCND1
SCHEMBL879036 0.71 PIM3 (0.56) PIM3AHRCCNE2CDK4CCND1
SCHEMBL1374474 0.69 TNF (0.54) PIM3AHRKEAP1PDPK1TNF

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
EP-2326649-B1 NOVEL PYRROLO[2,3-a]CARBAZOLES AND USE THEREOF AS PIM KINASE INHIBITORS CENTRE NAT RECH SCIENT (FR) 2012-03-28 EP disclosed