SCHEMBL12653117

SCHEMBL12653117

Cc1ncccc1C(=O)Nc1c(F)c(I)cc2c1[nH]c1cnccc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 13/20 0.66
▸ ICOSLG O75144 9/20 0.66
▸ ICOS Q9Y6W8 9/20 0.66
▸ IKBKB O14920 2/20 0.66
▸ TYK2 P29597 1/20 0.66
▸ CLK1 P49759 1/20 0.66
▸ CLK2 P49760 1/20 0.66
▸ DYRK1A Q13627 1/20 0.66
▸ CLK4 Q9HAZ1 1/20 0.66
▸ PI4KB Q9UBF8 1/20 0.66
▸ MEN1 O00255 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ IKBKG Q9Y6K9 1/20 0.44
▸ P2RX7 Q99572 1/20 0.38
▸ VCP P55072 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MAPT P10636 1/20 0.35

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
SCHEMBL1802564 0.89 CHUK (0.77) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL12653357 0.87 CHUK (0.80) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL13442709 0.87 CHUK (0.64) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL13442705 0.87 CHUK (0.64) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL12653168 0.85 CHUK (0.70) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL12653164 0.85 CHUK (0.61) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL17225471 0.83 CHUK (0.81) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL12619277 0.80 CHUK (0.75) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30342072 0.80 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1420073 0.80 CHUK (1.00) 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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