SCHEMBL28050431

SCHEMBL28050431

COc1ccc(-c2nccn2C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.51
TACR1 P25103 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
TDP2 O95551 1/20 0.44

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
SCHEMBL17151139 0.89 LRRK2 (0.50) LRRK2TACR1TTKACLY
SCHEMBL15650470 0.86 ALDH1A1 (0.56) LRRK2TACR1KDM4EALDH1A1MAPT
SCHEMBL22000128 0.86 TUBB4A (0.54) LRRK2TACR1KMT2AMEN1GSK3B
SCHEMBL17148214 0.83 TTK (0.47) LRRK2TACR1KDM4EALDH1A1MAPT
SCHEMBL19841829 0.83 LRRK2 (0.47) LRRK2TACR1KDM4EALDH1A1MAPT
SCHEMBL23033356 0.83 LRRK2 (0.55) LRRK2TACR1KMT2AMEN1HSD17B10
SCHEMBL5814966 0.82 TACR1 (0.49) LRRK2TACR1KDM4EALDH1A1KMT2A
SCHEMBL6600060 0.82 CCNB2 (0.47) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL17049267 0.79 LRRK2 (0.53) LRRK2TACR1KDM4EALDH1A1MAPT
SCHEMBL14675684 0.77 CLK4 (0.48) KDM4EALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105229009-B 2-phenylimidazo [1,2-A ] pyrimidines as imaging agents 豪夫迈·罗氏有限公司 2017-09-29 CN claimed
CN-105229009-A 2-phenylimidazo [1,2-A ] pyrimidines as imaging agents HOFFMANN LA ROCHE 2016-01-06 CN claimed
CN-105229009-B 2-phenylimidazo [1,2-A ] pyrimidines as imaging agents 豪夫迈·罗氏有限公司 2017-09-29 CN disclosed
CN-105229009-A 2-phenylimidazo [1,2-A ] pyrimidines as imaging agents HOFFMANN LA ROCHE 2016-01-06 CN disclosed