SCHEMBL3618779

SCHEMBL3618779

COc1cccc(-c2nc(N)ncc2C2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.59
▸ ADORA1 P30542 3/20 0.59
▸ HRH2 P25021 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ ADORA2B P29275 1/20 0.49
▸ CLK1 P49759 4/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ CDK5R1 Q15078 2/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ ALOX5AP P20292 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ DPP4 P27487 1/20 0.43

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
SCHEMBL1030372 0.86 DHFR (0.46) ADORA2AADORA1HRH2HRH3ALOX5AP
SCHEMBL1033184 0.85 DHFR (0.45) ADORA2AADORA1HRH2HRH3ALOX5AP
SCHEMBL16857688 0.77 GAA (0.45) ADORA2AADORA1HRH2HRH3PIK3CG
SCHEMBL3620507 0.76 TNK2 (0.47) HRH3MAPTFEN1
SCHEMBL2405655 0.75 KDM1A (0.46) ADORA2AADORA1HRH2HRH3ADORA2B
SCHEMBL20150248 0.73 ADORA2A (0.60) ADORA2AADORA1PIK3CG
SCHEMBL5753689 0.73 DPP4 (0.56) ADORA2AADORA1HRH2HRH3ADORA2B
SCHEMBL27964932 0.73 ADORA2A (0.61) ADORA2AADORA1HRH2HRH3ADORA2B
SCHEMBL13723740 0.72 ADORA2A (0.60) ADORA2AADORA1HRH2HRH3ADORA2B
SCHEMBL14983456 0.71 PIK3CG (0.62) ADORA2AADORA1HRH2HRH3ADORA2B

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-2010151747-A1 PYRIMINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-12-29 — — WO disclosed
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