SCHEMBL8161998

SCHEMBL8161998

Cn1cc(C2=C(c3cn(CCC(=O)O)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.69
CAMK2D Q13557 1/20 0.69
CDK2 P24941 3/20 0.69
CCNE2 O96020 2/20 0.69
CDK4 P11802 2/20 0.69
CCND1 P24385 2/20 0.69
CCNE1 P24864 2/20 0.69
PRKCA P17252 1/20 0.67
PRKACA P17612 1/20 0.67
PRKACG P22612 1/20 0.67
PRKACB P22694 1/20 0.67
CCNT1 O60563 1/20 0.63
CCNA2 P20248 1/20 0.63
CDK9 P50750 1/20 0.63

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
SCHEMBL30319793 0.93 PIM1 (0.73) PIM1CAMK2DCDK2CCNE2CDK4
SCHEMBL5688241 0.93 PIM1 (0.73) PIM1CAMK2DCDK2CCNE2CDK4
SCHEMBL8161268 0.92 CCNT1 (0.75) PIM1CAMK2DCDK2CCNE2CDK4
SCHEMBL8154274 0.89 PIM1 (0.71) PIM1CAMK2DCDK2CCNE2CDK4
SCHEMBL30834686 0.89 CCNE2 (0.71) PIM1CAMK2DCDK2CCNE2CDK4
SCHEMBL8161877 0.87 PRKACA (0.76) PIM1CAMK2DCDK2CCNE2CDK4
SCHEMBL8161831 0.87 CCNT1 (0.64) PIM1CAMK2DCDK2PRKCAPRKACA
SCHEMBL8161322 0.86 CCNE2 (0.74) PIM1CAMK2DCDK2CCNE2CDK4
Hydrochloric Acid SCHEMBL8163206 0.86 PIM1 (0.86) PIM1CAMK2DCDK2CCNE2CDK4
SCHEMBL30319767 0.86 PIM1 (0.77) PIM1CAMK2DCDK2CCNE2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36736-E Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 2000-06-13 US disclosed
EP-0674632-A1 AMINOACID DERIVATIVES OF HETEROCYCLES AS PROTEIN KINASE C INHIBITORS GÖDECKE AKTIENGESELLSCHAFT (DE) 1995-10-04 EP disclosed
WO-1994014798-A1 AMINOACID DERIVATIVES OF HETEROCYCLES AS PROTEIN KINASE C INHIBITORS Gödecke Aktiengesellschaft (DE) 1994-07-07 WO disclosed
EP-0328026-B1 SUBSTITUTED PYRROLES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 EP disclosed
US-5057614-A Antiinflammatory, immunology, bronchodilator agents, cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 1991-10-15 US disclosed
EP-0328026-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1989-08-16 EP disclosed