SCHEMBL4098726

SCHEMBL4098726

Cc1ccc(NC(=O)c2nc(-c3nc4ccccc4[nH]3)[nH]c2C(N)=O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 2/20 0.52
AHR P35869 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
THRB P10828 2/20 0.46
FOXO1 Q12778 1/20 0.43
PKM P14618 1/20 0.42
OPRK1 P41145 1/20 0.42
KLF5 Q13887 1/20 0.42
TP53 P04637 3/20 0.42

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
SCHEMBL2735412 0.78 RAB9A (0.56) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL213628 0.78 RAB9A (0.56) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL217226 0.77 MEN1 (0.48) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL2759942 0.74 NPC1 (0.54) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL214402 0.74 SMN1; SMN2 (0.46) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL2735324 0.71 ALDH1A1 (0.56) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4105577 0.71 GAA (0.55) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL216491 0.70 NTRK1 (0.47) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL25028319 0.70 SIRT1 (0.60) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL12659646 0.69 THRB (0.50) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A

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-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed