SCHEMBL2037416

SCHEMBL2037416

O=C1CCCCCN1c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
KDM4C Q9H3R0 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIP4K2A P48426 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 4/20 0.36

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
SCHEMBL2039662 0.98 L3MBTL1 (0.47) L3MBTL1KDM4CHRH3TDP1POLB
SCHEMBL2628993 0.93 L3MBTL1 (0.53) L3MBTL1KDM4CTDP1POLBAPEX1
SCHEMBL2043174 0.75 KDM4C (0.48) L3MBTL1KDM4CHRH3TDP1POLB
SCHEMBL13711959 0.72 NPC1 (0.51) HRH3ALDH1A1MEN1KMT2AHPGD
SCHEMBL233663 0.72 NPC1 (0.51) HRH3ALDH1A1MEN1KMT2AHPGD
SCHEMBL16528913 0.72 MEN1 (0.47) L3MBTL1HRH3POLBRECQLALDH1A1
SCHEMBL1583412 0.72 KDM4C (0.44) L3MBTL1KDM4CTDP1POLBAPEX1
SCHEMBL2045727 0.71 KDM4C (0.53) L3MBTL1KDM4CTDP1POLBAPEX1
Hydrochloric Acid SCHEMBL1583585 0.71 KDM4C (0.43) L3MBTL1KDM4CTDP1POLBAPEX1
Hydrochloric Acid SCHEMBL1583289 0.71 KDM4C (0.43) L3MBTL1KDM4CTDP1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP claimed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO claimed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO claimed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed