SCHEMBL4110690

SCHEMBL4110690

CC1(C)CN=C(CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)NC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 11/20 0.61
▸ ICOS Q9Y6W8 11/20 0.61
▸ 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
SCHEMBL13847741 0.94 ICOSLG (0.60) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847512 0.92 ICOSLG (0.58) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847504 0.92 ICOSLG (0.61) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847586 0.90 ICOSLG (0.60) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL4265538 0.90 ICOSLG (0.60) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847716 0.89 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847516 0.89 ICOSLG (0.55) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847503 0.87 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL3994817 0.86 ICOSLG (0.63) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847527 0.86 ICOSLG (0.63) 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
WO-2009067233-A1 BETA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-28 — — WO disclosed
WO-2009067233-A1 BETA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-28 — — WO disclosed
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