SCHEMBL30185517

SCHEMBL30185517

CCS(=O)(=O)c1ccc(Cc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.62
CYP2C9 P11712 3/20 0.62
RORC P51449 10/20 0.55
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51

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
SCHEMBL30185534 0.84 RORC (0.57) KIF11CYP2C9RORC
SCHEMBL30185518 0.80 KIF11 (0.47) KIF11CYP2C9RORC
SCHEMBL13983304 0.79 KIF11 (0.56) KIF11CYP2C9RORCJAK2JAK1
SCHEMBL13982856 0.78 KIF11 (0.64) KIF11CYP2C9JAK2JAK1TYK2
SCHEMBL13154896 0.75 KIF11 (1.00) KIF11CYP2C9
SCHEMBL19360323 0.73 RORC (0.76) RORC
SCHEMBL30185508 0.72 RORC (0.58) KIF11CYP2C9RORC
SCHEMBL13982828 0.72 KIF11 (0.57) KIF11CYP2C9JAK2JAK1TYK2
SCHEMBL19360483 0.72 RORC (0.87) RORC
SCHEMBL13982732 0.72 KIF11 (0.79) KIF11CYP2C9

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-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed