SCHEMBL29776089

SCHEMBL29776089

C[C@@H](O)c1nccnc1-c1ccc(Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.33
PTK2 Q05397 1/20 0.33
GRIA2 P42262 1/20 0.32
TGFBR1 P36897 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 1/20 0.32
GRM5 P41594 1/20 0.31
PLAU P00749 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL23212666 1.00 GABRA5 (0.33) GABRA5PTK2GRIA2TGFBR1L3MBTL1
SCHEMBL24926786 0.87 TGFBR1 (0.33) GABRA5PTK2GRIA2TGFBR1L3MBTL1
SCHEMBL29776219 0.84 ADRB2 (0.36) GABRA5GRIA2TGFBR1GRM5PLAU
SCHEMBL22498513 0.84 ADRB2 (0.36) GABRA5GRIA2TGFBR1GRM5PLAU
SCHEMBL29659908 0.84 ADRB2 (0.36) GABRA5GRIA2TGFBR1GRM5PLAU
SCHEMBL29776082 0.78 DYRK1A (0.42) GRM5
SCHEMBL23212759 0.78 DYRK1A (0.42) GRM5
SCHEMBL23212679 0.77 KDM4E (0.39) L3MBTL1
SCHEMBL29775988 0.77 KDM4E (0.39) L3MBTL1
SCHEMBL29776123 0.74 HRH1 (0.33) GRIA2TGFBR1GRM5

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
CN-114761393-A Heteroaryl substituted pyrazine derivatives as pesticides 拜耳动物保健有限责任公司 2022-07-15 CN disclosed