SCHEMBL4658947

SCHEMBL4658947

O=C(NCc1ccccc1CF)c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.55
ROCK2 O75116 3/20 0.52
ROCK1 Q13464 3/20 0.52
MMP13 P45452 2/20 0.52
RPS6KA5 O75582 1/20 0.52
MAP4K4 O95819 1/20 0.52
PRKCG P05129 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
MAPK1 P28482 1/20 0.52
AKT1 P31749 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
PRKX P51817 1/20 0.52
PRKCD Q05655 1/20 0.52
PRKG2 Q13237 1/20 0.52
DYRK1A Q13627 1/20 0.52
PRKG1 Q13976 1/20 0.52
PKN2 Q16513 1/20 0.52

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
SCHEMBL1568699 0.84 NAMPT (0.69) KMT2AL3MBTL1ROCK2ROCK1MMP13
SCHEMBL27833527 0.83 KMT2A (0.70) KMT2AL3MBTL1ROCK2ROCK1MMP13
SCHEMBL1568246 0.81 SMN1; SMN2 (0.68) KMT2AL3MBTL1ROCK2MAPK1RAB9A
SCHEMBL30780061 0.81 HPGD (0.77) KMT2AL3MBTL1ROCK2ROCK1MMP13
SCHEMBL1568387 0.81 HPGD (0.77) KMT2AL3MBTL1ROCK2ROCK1MMP13
SCHEMBL6779494 0.79 KMT2A (0.65) KMT2AL3MBTL1ROCK2ROCK1MMP13
SCHEMBL27833534 0.78 KMT2A (0.63) KMT2AROCK2ROCK1MMP13RPS6KA5
SCHEMBL1568381 0.78 HDAC1 (0.72) KMT2AROCK2ROCK1ALDH1A1HPGD
SCHEMBL1569194 0.77 ROCK2 (0.82) KMT2AL3MBTL1ROCK2ROCK1MMP13
SCHEMBL27913635 0.75 KMT2A (0.56) KMT2AL3MBTL1ROCK2PRKCGPRKCD

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-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 WO disclosed