SCHEMBL14282905

SCHEMBL14282905

Nc1cc(-c2ccnc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
ERBB2 P04626 5/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK6 Q13882 4/20 0.42
GAA P10253 1/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
MTOR P42345 1/20 0.41
SMG1 Q96Q15 1/20 0.41
SRC P12931 1/20 0.40
KCNA5 P22460 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3621519 0.90 MEN1 (0.48) MEN1KMT2AATMPOLBPKM
SCHEMBL4007588 0.89 MEN1 (0.48) MEN1KMT2AATMPOLBPKM
SCHEMBL13408180 0.88 IKBKB (0.44) MEN1KMT2AATMPOLBPKM
SCHEMBL13442268 0.88 MEN1 (0.43) MEN1KMT2AATMPOLBPKM
Trifluoroacetic Acid SCHEMBL3624358 0.82 KMT2A (0.42) MEN1KMT2AATMPOLBPKM
SCHEMBL3621225 0.81 IKBKB (0.47) JAK2ALDH1A1MAPK10
SCHEMBL14283347 0.81 MAPK10 (0.60) JAK2MAPK10
SCHEMBL13442607 0.79 MAPK10 (0.45) MAPK10
SCHEMBL13408178 0.79 IKBKB (0.46) CDK2MAPK10
SCHEMBL14283339 0.77 RIPK1 (0.46) ATMPOLBPKMHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO disclosed