SCHEMBL8167272

SCHEMBL8167272

CN(CCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)OC2=O)c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.55
PRKACA P17612 2/20 0.55
PRKACG P22612 2/20 0.55
PRKACB P22694 2/20 0.55
PRKCA P17252 1/20 0.55
GSK3B P49841 1/20 0.49
CCNT1 O60563 3/20 0.48
CDK9 P50750 3/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CAMK2D Q13557 1/20 0.47
CCNB2 O95067 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CCNB3 Q8WWL7 2/20 0.45

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
SCHEMBL8162860 0.77 CCNT1 (0.53) PIM1PRKACAPRKACGPRKACBPRKCA
SCHEMBL8166629 0.76 PIM1 (0.59) PIM1PRKACAPRKACGPRKACBPRKCA
SCHEMBL3155154 0.76 CCNT1 (0.58) PIM1PRKACAPRKACGPRKACBPRKCA
SCHEMBL9278910 0.76 PIM1 (0.60) PIM1PRKACAPRKACGPRKACBPRKCA
SCHEMBL8161831 0.75 CCNT1 (0.64) PIM1PRKACAPRKACGPRKACBPRKCA
SCHEMBL8161873 0.74 CCNT1 (0.52) PIM1PRKACAPRKACGPRKACBPRKCA
SCHEMBL8162035 0.74 PRKACA (0.59) PIM1PRKACAPRKACGPRKACBPRKCA
SCHEMBL30834692 0.74 CCNT1 (0.56) PIM1PRKCAGSK3BCCNT1CDK9
SCHEMBL7826797 0.72 PRKCA (0.52) PIM1PRKACAPRKACGPRKACBPRKCA
SCHEMBL7057981 0.71 PRKCA (1.00) PIM1PRKACAPRKACGPRKACBPRKCA

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
US-RE36736-E Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 2000-06-13 US 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