SCHEMBL14302002

SCHEMBL14302002

CCN(CC)CCCC(C)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 4/20 0.53
PIM1 P11309 12/20 0.51
PIM2 Q9P1W9 8/20 0.49
FLT3 P36888 1/20 0.48
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TGFBR2 P37173 1/20 0.43

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
SCHEMBL14356890 0.86 CCR4 (0.50) CCR4PIM1PIM2TMEM97SIGMAR1
SCHEMBL4345111 0.85 PIM1 (0.57) PIM1PIM2FLT3
SCHEMBL14302001 0.78 CCR4 (0.49) CCR4TMEM97SIGMAR1
SCHEMBL103007 0.77 PIM1 (0.61) PIM1PIM2FLT3TGFBR2
SCHEMBL13943374 0.76 PIM1 (0.54) PIM1PIM2FLT3TGFBR2
SCHEMBL22421547 0.75 PIM1 (0.55) PIM1PIM2FLT3TGFBR2
SCHEMBL13501067 0.75 PIM1 (0.54) PIM1PIM2FLT3TGFBR2
SCHEMBL22421502 0.75 PIM1 (0.61) PIM1PIM2FLT3TGFBR2
SCHEMBL13943371 0.74 NTRK1 (0.55) PIM1PIM2FLT3
SCHEMBL13943911 0.74 NTRK1 (0.55) PIM1PIM2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO disclosed