SCHEMBL19984191

SCHEMBL19984191

CN(C)C(=O)c1cn(Sc2cccnc2)c2cc(Nc3ccc(C(F)(F)F)cc3Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KIT P10721 2/20 0.36
LRRK2 Q5S007 1/20 0.36
CSF1R P07333 2/20 0.35
GPBAR1 Q8TDU6 5/20 0.34
CTSC P53634 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CRHR1 P34998 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MPO P05164 1/20 0.33
KIF11 P52732 1/20 0.32
EGFR P00533 1/20 0.32
NAMPT P43490 1/20 0.32
KLRK1 P26718 1/20 0.32
MICA Q29983 1/20 0.32

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
SCHEMBL16618617 0.83 HDAC1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19KIT
SCHEMBL19983961 0.82 DHODH (0.37) NAMPTKDR
SCHEMBL19983939 0.81 ABL1 (0.37) KITGPBAR1KDR
SCHEMBL19984057 0.78 AKR1C3 (0.35) CYP3A4CYP2D6CYP2C9CYP2C19LRRK2
SCHEMBL16619188 0.73 LMNA (0.40) LRRK2LMNANAMPTKDR
SCHEMBL16618817 0.72 HDAC1 (0.41) LMNAMAPTNAMPT
SCHEMBL19984171 0.71 POLB (0.37) KDM4EEGFRNAMPTPOLB
SCHEMBL19984135 0.70 BCL6 (0.40) LMNAMAPTKDM4EEGFRSRC
SCHEMBL17971590 0.70 FBP1 (0.47) LMNAPOLB
SCHEMBL19983733 0.70 SLC6A2 (0.37) CYP2D6CYP2C9CYP2C19MAPTNAMPT

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed