SCHEMBL6818798

SCHEMBL6818798

Cc1cc(OC(F)(F)F)ccc1-c1ncnc(NCCCC2CC2)c1N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.36
BCR P11274 2/20 0.36
BRD4 O60885 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
IL1B P01584 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CYP1A2 P05177 2/20 0.33
SLC34A1 Q06495 2/20 0.33
CRHR1 P34998 1/20 0.33
MAPK7 Q13164 1/20 0.33
SYK P43405 1/20 0.33
SCN5A Q14524 1/20 0.32
KDR P35968 1/20 0.32
KCNH2 Q12809 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 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
SCHEMBL6813739 0.90 DYRK1A (0.38) JAK2JAK1JAK3CRHR1
SCHEMBL6818769 0.84 FFAR4 (0.35) ABL1BCRFFAR4JAK2JAK1
SCHEMBL6082274 0.78 CRHR1 (0.38) FFAR4IL1BCYP1A2CRHR1SCN5A
SCHEMBL6082269 0.78 CRHR1 (0.38) FFAR4IL1BCYP1A2CRHR1SCN5A
SCHEMBL6814839 0.76 CRHR1 (0.39) JAK2JAK1JAK3CYP1A2CRHR1
SCHEMBL6817680 0.75 TLR7 (0.34) JAK2JAK1TYK2JAK3
SCHEMBL6082497 0.75 CYP1A2 (0.42) FFAR4IL1BCYP1A2SCN5A
SCHEMBL6821870 0.73 ENPP1 (0.36) JAK2JAK1JAK3CRHR1KDR
SCHEMBL6817777 0.72 BRD4 (0.37) BRD4JAK2JAK1JAK3CRHR1
SCHEMBL6083103 0.68 MDM2 (0.39) FFAR4CRHR1

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
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO disclosed