SCHEMBL8166348

SCHEMBL8166348

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.81
CAMK2D Q13557 3/20 0.81
PRKCA P17252 2/20 0.68
PRKACA P17612 1/20 0.68
PRKACG P22612 1/20 0.68
PRKACB P22694 1/20 0.68
MEN1 O00255 1/20 0.64
CASK O14936 1/20 0.64
CCNT1 O60563 1/20 0.64
RPS6KA5 O75582 1/20 0.64
CCNK O75909 1/20 0.64
STK10 O94804 1/20 0.64
PRKD3 O94806 1/20 0.64
TP53 P04637 1/20 0.64
PRKCG P05129 1/20 0.64
PRKCB P05771 1/20 0.64
CYP3A4 P08684 1/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64

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
SCHEMBL29438694 0.90 CAMK2D (1.00) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL1942352 0.90 CAMK2D (1.00) PIM1CAMK2DPRKCAPRKACAPRKACG
Hydrochloric Acid SCHEMBL8162861 0.89 CAMK2D (0.98) PIM1CAMK2DPRKCAPRKACAPRKACG
Hydrochloric Acid SCHEMBL8160489 0.88 CAMK2D (0.91) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL8154114 0.88 CAMK2D (0.91) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL7059398 0.88 PIM1 (0.75) PIM1CAMK2DPRKCAPRKACAPRKACG
Hydrochloric Acid SCHEMBL8163206 0.87 PIM1 (0.86) PIM1CAMK2DPRKCAPRKACAPRKACG
Hydrochloric Acid SCHEMBL8163111 0.87 PRKACA (0.74) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL8161316 0.86 CAMK2D (0.87) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL10593264 0.85 MEN1 (0.68) PIM1CAMK2DPRKCAPRKACAPRKACG

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