SCHEMBL3787763

SCHEMBL3787763

O=Cc1cnc2ccc(F)cn12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.40
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
FLT3 P36888 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
JAK2 O60674 4/20 0.33
JAK3 P52333 4/20 0.33
JAK1 P23458 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
ATM Q13315 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
SCHEMBL28591822 0.79 ADORA2A (0.36) ADORA2APRMT5WDR77FLT3KDM4E
SCHEMBL20593153 0.79 TGFBR1 (0.43)
SCHEMBL3707769 0.79 CYP1A2 (0.53) PRMT5WDR77KDM4EALDH1A1HPGD
SCHEMBL5100079 0.79 POLB (0.47) PRMT5WDR77FLT3ALDH1A1
SCHEMBL1865755 0.79 MAP3K14 (0.43) ADORA2AFLT3ALDH1A1
SCHEMBL28589494 0.78 ADORA2A (0.35) ADORA2APRMT5WDR77FLT3KDM4E
SCHEMBL1874458 0.78 DYRK1A (0.40) FLT3JAK2CYP11B2
SCHEMBL12097467 0.78 PIK3CA (0.40) FLT3CYP11B1CYP11B2
SCHEMBL28417731 0.75 FLT3 (0.49) ADORA2APRMT5WDR77FLT3JAK2
SCHEMBL1356277 0.75 TGFBR1 (0.50) ADORA2APRMT5WDR77FLT3KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391625-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF Domain Therapeutics (FR) 2011-12-07 EP disclosed
WO-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 WO disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP disclosed