SCHEMBL28045814

SCHEMBL28045814

Cc1c[nH]c2ncnc(-c3ccc(-c4ccc(S(N)(=O)=O)cc4)cc3)c12

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.67
CHUK O15111 3/20 0.65
LIMK1 P53667 14/20 0.56
ROCK2 O75116 10/20 0.56
IKBKB O14920 2/20 0.56
ROCK1 Q13464 4/20 0.46
LIMK2 P53671 1/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL15664710 0.80 KIT (1.00) KITCHUKLIMK1ROCK2IKBKB
SCHEMBL15516554 0.78 KIT (0.83) KITLIMK1ROCK2ROCK1
SCHEMBL20195296 0.78 LIMK1 (0.69) KITLIMK1ROCK2ROCK1LIMK2
SCHEMBL3126315 0.72 LIMK1 (1.00) LIMK1ROCK2ROCK1LIMK2
SCHEMBL20184562 0.70 JAK3 (0.54) KITCHUKLIMK1ROCK2IKBKB
SCHEMBL3119541 0.69 LIMK1 (1.00) LIMK1ROCK2ROCK1LIMK2JAK2
SCHEMBL15032705 0.68 JAK3 (0.76) JAK2JAK3
SCHEMBL19616376 0.67 LIMK1 (1.00) KITLIMK1ROCK2ROCK1LIMK2
SCHEMBL20184701 0.66 JAK2 (0.61) KITLIMK1ROCK2ROCK1JAK2
SCHEMBL9967152 0.65 AKT1 (0.46) KITLIMK1ROCK2

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
CN-105311585-A Traditional Chinese medicine composition for treating cirrhosis LI CHAOBIN 2016-02-10 CN disclosed