SCHEMBL13315669

SCHEMBL13315669

C[C@@H](CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12)NC(=O)NN

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ICOSLG O75144 11/20 0.59
ICOS Q9Y6W8 11/20 0.59
CHUK O15111 15/20 0.50
MEN1 O00255 1/20 0.43
IKBKB O14920 1/20 0.43
PIM1 P11309 1/20 0.43
KMT2A Q03164 1/20 0.43
PIM3 Q86V86 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43

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
SCHEMBL13408021 0.94 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653122 0.94 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619372 0.94 ICOSLG (0.61) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL3132124 0.92 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL3132133 0.92 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13441606 0.91 ICOSLG (0.62) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619396 0.91 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1800334 0.91 ICOSLG (0.63) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1802650 0.90 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619371 0.90 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB

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
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed