SCHEMBL4023868

SCHEMBL4023868

CNC(=O)C(C)c1ccc(F)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.48
FFAR2 O15552 1/20 0.41
KMT2A Q03164 3/20 0.40
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK2 O60674 1/20 0.38
PDE4D Q08499 1/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1I2 O75469 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ROCK2 O75116 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL27760064 0.82 APLNR (0.53) APLNRFFAR2JAK2NR1I2RAB9A
SCHEMBL17765226 0.81 APLNR (0.51) APLNRFFAR2KMT2AMEN1CYP1A2
SCHEMBL29457012 0.79 APLNR (0.54) APLNRFFAR2JAK1TYK2JAK2
SCHEMBL24468398 0.74 APLNR (0.47) APLNRJAK2NR1I2HDAC6
SCHEMBL17445188 0.74 APLNR (0.47) APLNRJAK2NR1I2HDAC6
SCHEMBL16797554 0.74 APLNR (0.46) APLNRKMT2AMEN1CYP1A2CYP2C9
SCHEMBL1927308 0.73 NR1I2 (0.48) APLNRFFAR2JAK2CYP2C9CYP2C19
SCHEMBL1927306 0.73 APLNR (0.48) APLNRFFAR2JAK2CYP2C9NR1I2
SCHEMBL588472 0.73 APLNR (0.48) APLNRFFAR2JAK2NR1I2MAPK1
SCHEMBL12069877 0.73 APLNR (0.48) APLNRFFAR2JAK2NR1I2MAPK1

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-2009095712-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-06 WO disclosed