SCHEMBL6813739

SCHEMBL6813739

COc1ccc(-c2ncnc(NCCCC3CC3)c2N)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
ENPP1 P22413 1/20 0.38
CRHR1 P34998 2/20 0.37
ACP1 P24666 2/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
MCHR1 Q99705 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
TLR8 Q9NR97 1/20 0.34
PDE2A O00408 1/20 0.33
KMT5A Q9NQR1 1/20 0.33

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
SCHEMBL6818798 0.90 ABL1 (0.36) CRHR1JAK2JAK1JAK3
SCHEMBL6814839 0.85 CRHR1 (0.39) DYRK1AENPP1CRHR1JAK2JAK1
SCHEMBL6817680 0.82 TLR7 (0.34) ACP1JAK2JAK1JAK3KMT5A
SCHEMBL6821870 0.82 ENPP1 (0.36) DYRK1AENPP1CRHR1JAK2JAK1
SCHEMBL6817777 0.81 BRD4 (0.37) ENPP1CRHR1JAK2JAK1JAK3
SCHEMBL6083147 0.76 CRHR1 (0.37) DYRK1ACRHR1
SCHEMBL6817533 0.75 HSP90AA1 (0.37) CRHR1ACP1KMT5A
SCHEMBL6818769 0.73 FFAR4 (0.35) CRHR1JAK2JAK1
SCHEMBL6817636 0.72 BRD4 (0.37) MCHR1NPC1KMT2A
SCHEMBL6818015 0.71 ACP1 (0.36) CRHR1ACP1NPC1RAB9AKMT5A

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