SCHEMBL4620360

SCHEMBL4620360

CN1CCN(c2ccc(-c3cc(-c4ccoc4)cnc3N)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.69
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
TGFBR1 P36897 4/20 0.51
ACVR1 Q04771 5/20 0.50
ACVRL1 P37023 1/20 0.48
HRH1 P35367 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CYP1A2 P05177 3/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 2/20 0.48
CYP2C19 P33261 1/20 0.48
SLC2A1 P11166 1/20 0.48
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL18613336 0.82 FYN (1.00) FYNTGFBR1ACVR1
SCHEMBL2225829 0.82 FYN (1.00) FYNTGFBR1ACVR1
SCHEMBL2228058 0.79 FYN (0.77) FYNTGFBR1ACVR1
SCHEMBL2225805 0.78 FYN (0.71) FYNTGFBR1ACVR1KMT2AALDH1A1
SCHEMBL24681351 0.76 FYN (0.68) FYNTGFBR1ACVR1
SCHEMBL20485719 0.76 FYN (1.00) FYNTGFBR1ACVR1
SCHEMBL30521825 0.76 FYN (1.00) FYNTGFBR1ACVR1
SCHEMBL29914380 0.75 FYN (0.67) FYNTGFBR1ACVR1
SCHEMBL24680827 0.75 FYN (0.67) FYNTGFBR1ACVR1
SCHEMBL18613764 0.75 FYN (1.00) FYNTGFBR1ACVR1

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
EP-1900727-A1 Aminopyridine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025820-A1 AMINOPYRIDINE DERIVATES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
EP-1900727-A1 Aminopyridine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025820-A1 AMINOPYRIDINE DERIVATES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed