SCHEMBL13270192

SCHEMBL13270192

C=Cc1[nH]c2c(NC(=O)c3cccnc3C)cc(Cl)cc2c1/C(N)=C\N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 11/20 0.40
▸ ICOS Q9Y6W8 11/20 0.40
▸ CHUK O15111 10/20 0.40
▸ IKBKB O14920 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ IKBKG Q9Y6K9 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ VCP P55072 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1800497 0.72 CHUK (0.52) ICOSLGICOSCHUKIKBKBTYK2
SCHEMBL1797764 0.67 ICOSLG (0.49) ICOSLGICOSCHUKIKBKBTYK2
SCHEMBL8341671 0.65 POLB (0.63) MEN1KMT2AP2RX7KDM4ERXFP1
SCHEMBL14253072 0.62 CHUK (0.74) ICOSLGICOSCHUKIKBKBTYK2
SCHEMBL14050786 0.61 TDP1 (0.77) KMT2AP2RX7KDM4ERXFP1L3MBTL1
SCHEMBL27718071 0.59 TDP1 (0.57) MEN1KMT2AKDM4ERXFP1L3MBTL1
SCHEMBL25480675 0.59 ICOSLG (0.66) ICOSLGICOSCHUKIKBKBTYK2
SCHEMBL113365 0.59 P2RX7 (1.00) KMT2AP2RX7KDM4EL3MBTL1ALDH1A1
SCHEMBL17225471 0.58 CHUK (0.81) ICOSLGICOSCHUKIKBKBTYK2
SCHEMBL11344287 0.58 PRKCI (0.67) TYK2MEN1KMT2AP2RX7KDM4E

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
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 — — EP disclosed
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