SCHEMBL6817680

SCHEMBL6817680

COc1ccc(-c2ncnc(NCCCC3CC3)c2N)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.34
PIK3CA P42336 2/20 0.33
KMT5A Q9NQR1 1/20 0.33
ACP1 P24666 1/20 0.31
HRH4 Q9H3N8 3/20 0.31
MAP4K1 Q92918 1/20 0.31
GALR3 O60755 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
FLT3 P36888 2/20 0.31
TYRO3 Q06418 2/20 0.31
MERTK Q12866 2/20 0.31
GAS6 Q14393 2/20 0.31

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 0.82 DYRK1A (0.38) KMT5AACP1JAK2JAK1JAK3
SCHEMBL6081983 0.76 CRHR1 (0.35)
SCHEMBL6081981 0.76 CRHR1 (0.35)
SCHEMBL6818798 0.75 ABL1 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL6814839 0.74 CRHR1 (0.39) KMT5AGALR3JAK2JAK1JAK3
SCHEMBL6813821 0.73 LMNA (0.35) PIK3CAKMT5AACP1
SCHEMBL6082233 0.72 TP53 (0.37) PIK3CA
SCHEMBL6082225 0.72 TP53 (0.37) PIK3CA
SCHEMBL6082359 0.72 NNMT (0.40) PIK3CAMAP4K1
SCHEMBL6082485 0.71 CRHR1 (0.42)

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