SCHEMBL14067435

SCHEMBL14067435

CCc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/NC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL14483300 0.80 MEN1 (0.61) PDE4DMEN1KMT2ARAB9ANPC1
SCHEMBL2559503 0.79 PDE4D (0.56) PDE4DMEN1KMT2ARAB9ANPC1
SCHEMBL12264899 0.78 PDE4D (0.59) PDE4DMEN1KMT2ARAB9ANPC1
SCHEMBL2554005 0.78 PDE4D (0.55) PDE4DMEN1KMT2ARAB9ANPC1
SCHEMBL23399943 0.70 KDM4C (0.55) PDE4DMEN1KMT2ARAB9ANPC1
SCHEMBL12266477 0.69 ALDH1A1 (0.49) PDE4DMEN1KMT2ARAB9ANPC1
SCHEMBL14482912 0.69 MEN1 (0.47) PDE4DMEN1KMT2AALDH1A1NPSR1
SCHEMBL2576433 0.68 TSHR (0.47) PDE4DMEN1KMT2ARAB9ANPC1
SCHEMBL14482214 0.68 PDE4D (0.47) PDE4DMEN1KMT2ARAB9ANPC1
SCHEMBL4524302 0.68 GAA (0.57) PDE4DMEN1KMT2ARAB9ANPC1

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
EP-1343781-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-09-03 EP disclosed