SCHEMBL5746478

SCHEMBL5746478

N#Cc1c(-c2ccccc2)cc(NCCO)nc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 5/20 0.66
RPS27 P42677 4/20 0.53
PIM1 P11309 5/20 0.47
CNR1 P21554 2/20 0.46
MAPK8 P45983 3/20 0.43
MAPK9 P45984 2/20 0.43
MAP4K4 O95819 1/20 0.42
TYK2 P29597 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAPK10 P53779 1/20 0.41
CD274 Q9NZQ7 1/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3546792 0.81 SQOR (0.55) SQORCNR1ADORA1MEN1KMT2A
SCHEMBL22208394 0.80 SQOR (1.00) SQORPIM1CNR1ADORA1MEN1
SCHEMBL3544165 0.71 ADORA1 (0.47) SQORCLK4ADORA1MEN1KMT2A
SCHEMBL4072641 0.70 SQOR (0.56) SQORRPS27PIM1CNR1MAPK8
SCHEMBL11483017 0.69 ABCB1 (0.49) SQORCLK4ADORA1MEN1KMT2A
SCHEMBL22208360 0.68 SQOR (0.72) SQORPIM1ADORA1KMT2AL3MBTL1
SCHEMBL17330432 0.68 SQOR (0.56) SQORL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL6446566 0.68 ADORA1 (0.63) SQORADORA1
SCHEMBL5388756 0.67 POLB (0.67) SQORL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL13514356 0.67 RPS27 (0.86) RPS27MAPK8MAPK9MAP4K4MAPK10

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
EP-1368320-B1 SUBSTITUTED 2-OXY-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-08-16 EP claimed