SCHEMBL2476487

SCHEMBL2476487

CC(C)Oc1nccc(N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
POLB P06746 2/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
NR4A2 P43354 3/20 0.33
MAP4K4 O95819 1/20 0.33
ACACB O00763 1/20 0.33
SOS2 Q07890 1/20 0.33
MET P08581 1/20 0.32
ATM Q13315 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL21598414 0.79 AURKA (0.43) NR4A2SOS2MAPTL3MBTL1GAA
SCHEMBL24196203 0.78 LRRK2 (0.41) LRRK2POLBALOX5APFEN1CCNA2
SCHEMBL2375700 0.73 ALOX5AP (0.46) LRRK2POLBALOX5APFEN1CCNA2
SCHEMBL27727585 0.72 NOS2 (0.50) LRRK2POLBALOX5APFEN1CCNA2
SCHEMBL22488170 0.72 ALDH1A1 (0.42) MAPK8MAPK9MAPK10ACACBMAPT
SCHEMBL8415149 0.71 NR4A2 (0.36) POLBNR4A2SOS2GAAG6PD
SCHEMBL22234589 0.70 LRRK2 (0.43) LRRK2ALOX5APFEN1CCNA2CDK2
SCHEMBL17848977 0.70 LRRK2 (0.40) LRRK2ALOX5APFEN1CCNA2CDK2
SCHEMBL364773 0.69 ATM (0.43) LRRK2POLBALOX5APFEN1MET
SCHEMBL364666 0.68 LRRK2 (0.35) LRRK2

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
EP-2370438-A1 IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION Exelixis, Inc. (US) 2011-10-05 EP disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 WO disclosed