SCHEMBL3397520

SCHEMBL3397520

CC(=O)N1CCN(Cc2c(F)cc(Br)cc2F)CC1.Fc1cc(Br)cc(F)c1CN1CCSCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
RORC P51449 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HRH3 Q9Y5N1 2/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
GPR183 P32249 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL4296929 0.92 L3MBTL1 (0.51) L3MBTL1RORCKDM4EHRH3ALDH1A1
SCHEMBL4048591 0.86 KDM4E (0.55) L3MBTL1KDM4EALDH1A1GAAMEN1
SCHEMBL3397376 0.74 GFER (0.51) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL4289837 0.74 CHKA (0.55) KDM4EALDH1A1GAATDP1
SCHEMBL2106701 0.71 ALDH1A1 (0.46) KDM4EHRH3ALDH1A1MEN1KMT2A
SCHEMBL17422248 0.71 MEN1 (0.50) KDM4EALDH1A1MEN1KMT2AALOX15
SCHEMBL1427472 0.70 ALDH1A1 (0.49) KDM4EHRH3ALDH1A1MEN1KMT2A
SCHEMBL4287610 0.70 KDM4E (0.39) KDM4EHRH3ALDH1A1TDP1
SCHEMBL5539795 0.68 HRH3 (0.53) L3MBTL1RORCKDM4EHRH3ALDH1A1
SCHEMBL2574046 0.68 KMT2A (0.42) KDM4EALDH1A1MEN1KMT2A

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-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO disclosed