SCHEMBL13680708

SCHEMBL13680708

Cc1ccc(-c2cnc(N3CCOCC3)nc2)o1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
POLB P06746 1/20 0.45
AOC3 Q16853 7/20 0.44
MTOR P42345 5/20 0.43
PIK3R1 P27986 4/20 0.43
PIK3CA P42336 4/20 0.43
KCNH2 Q12809 3/20 0.43
KMT2A Q03164 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL13680712 0.88 NPY5R (0.40) CNR2POLBAOC3KDM4E
SCHEMBL13680722 0.84 TAAR1 (0.44) KDM4E
SCHEMBL6938016 0.75 POLB (0.58) CNR2POLBAOC3MTORPIK3R1
SCHEMBL13681022 0.74 POLB (0.42) CNR2POLBAOC3MTORPIK3R1
SCHEMBL13680715 0.73 TDP1 (0.42) POLBKMT2AKDM4E
SCHEMBL24348371 0.72 PRKAB2 (0.57) MTORPIK3R1PIK3CAKCNH2KMT2A
SCHEMBL15344111 0.72 PIK3CA (0.53) CNR2POLBAOC3MTORPIK3R1
SCHEMBL13680654 0.72 AOC3 (0.54) CNR2POLBAOC3MTORPIK3CA
SCHEMBL13680682 0.71 PIK3CA (0.52) CNR2POLBAOC3MTORPIK3R1
SCHEMBL3409601 0.70 PIK3CA (0.54) CNR2POLBAOC3MTORPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed