SCHEMBL901918

SCHEMBL901918

COC(=O)c1ccc(Nc2cc(Br)nc(Br)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
KDM4E B2RXH2 4/20 0.59
MEN1 O00255 4/20 0.59
HPGD P15428 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
ROCK1 Q13464 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CRBN Q96SW2 1/20 0.46

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
SCHEMBL12893944 0.83 ROCK1 (0.53) KMT2AKDM4EMEN1HPGDRXFP1
SCHEMBL1505883 0.82 MEN1 (0.64) KMT2AKDM4EMEN1HPGDRXFP1
SCHEMBL583270 0.79 KDM4E (0.64) KMT2AKDM4EMEN1HPGDRXFP1
SCHEMBL13227847 0.78 KMT2A (0.78) KMT2AKDM4EMEN1HPGDRXFP1
SCHEMBL23999861 0.76 KMT2A (0.57) KMT2AKDM4EMEN1HPGDRXFP1
SCHEMBL28590406 0.76 KMT2A (0.54) KMT2AKDM4EMEN1HPGDRXFP1
SCHEMBL71303 0.75 TSHR (0.69) KMT2AMEN1HPGDSMN1; SMN2TSHR
SCHEMBL13955869 0.74 KMT2A (0.72) KMT2AKDM4EMEN1HPGDRXFP1
SCHEMBL22235430 0.74 CA1 (0.55) KMT2AKDM4EMEN1HPGDRXFP1
SCHEMBL5415723 0.74 MEN1 (0.74) KMT2AKDM4EMEN1HPGDRXFP1

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed