SCHEMBL8166629

SCHEMBL8166629

Cn1cc(C2=C(c3cn(CCCBr)c4ccccc34)C(=O)OC2=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.59
CAMK2D Q13557 1/20 0.59
PRKCA P17252 2/20 0.57
PRKACA P17612 1/20 0.57
PRKACG P22612 1/20 0.57
PRKACB P22694 1/20 0.57
CCNT1 O60563 4/20 0.54
CDK9 P50750 4/20 0.54
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
IDH1 O75874 1/20 0.51
MEN1 O00255 1/20 0.51
CASK O14936 1/20 0.51
RPS6KA5 O75582 1/20 0.51
CCNK O75909 1/20 0.51
STK10 O94804 1/20 0.51
PRKD3 O94806 1/20 0.51
TP53 P04637 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51

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
SCHEMBL3155154 0.85 CCNT1 (0.58) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL8075637 0.82 CCNT1 (0.50) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL8162860 0.82 CCNT1 (0.53) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL8161831 0.81 CCNT1 (0.64) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL30834692 0.80 CCNT1 (0.56) PIM1CAMK2DPRKCACCNT1CDK9
SCHEMBL7873226 0.79 CAMK2D (0.67) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL8161873 0.79 CCNT1 (0.52) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL8162035 0.79 PRKACA (0.59) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL8167272 0.76 PIM1 (0.55) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL8161267 0.75 CDK2 (0.56) PRKCACCNT1CDK9CDK2PRKCB

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
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
EP-0328026-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1989-08-16 EP disclosed