SCHEMBL12653360

SCHEMBL12653360

Cc1ncccc1C(=O)Nc1c(OCC2CC2)c(Cl)cc2c3c([nH]c12)C=NCC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 3/20 0.51
▸ ICOSLG O75144 2/20 0.51
▸ ICOS Q9Y6W8 2/20 0.51
▸ IKBKB O14920 1/20 0.51
▸ TYK2 P29597 1/20 0.51
▸ CLK1 P49759 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51
▸ P2RX7 Q99572 1/20 0.34
▸ GRM4 Q14833 3/20 0.33
▸ CRHR1 P34998 1/20 0.32
▸ MRGPRX1 Q96LB2 1/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ ACKR3 P25106 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ PDE4A P27815 1/20 0.31

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
SCHEMBL1803613 0.81 CHUK (0.77) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1798941 0.69 CHUK (0.84) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1420073 0.67 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30039188 0.67 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30342072 0.67 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30492167 0.67 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
Hydrochloric Acid SCHEMBL18114522 0.67 CHUK (0.98) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1797398 0.67 CHUK (0.77) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL25480675 0.65 ICOSLG (0.66) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL17225471 0.64 CHUK (0.81) CHUKICOSLGICOSIKBKBTYK2

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
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