SCHEMBL1800823

SCHEMBL1800823

CC(CN1CC(C)(C)OCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12)NC(=O)c1cnccn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ICOSLG O75144 11/20 0.56
ICOS Q9Y6W8 11/20 0.56
CHUK O15111 13/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
IKBKB O14920 1/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12619405 1.00 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12653013 0.92 ICOSLG (0.46) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619372 0.91 ICOSLG (0.61) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL1800245 0.91 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619392 0.91 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619377 0.90 ICOSLG (0.55) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL1798662 0.90 ICOSLG (0.55) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL1799816 0.89 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL13315672 0.89 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL13315669 0.89 ICOSLG (0.59) ICOSLGICOSCHUKMEN1KMT2A

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
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed