SCHEMBL14375570

SCHEMBL14375570

CC(C)(N)c1ccnc(C2CCOC2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 9/20 0.38
SYK P43405 1/20 0.35
PIK3CD O00329 2/20 0.33
PIM1 P11309 1/20 0.33
PIK3CA P42336 1/20 0.33
CNR2 P34972 2/20 0.32
LRRK2 Q5S007 1/20 0.31
ACVR2A P27037 1/20 0.31
TGFBR2 P37173 1/20 0.31
CCR2 P41597 1/20 0.31
KCNH2 Q12809 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
SCHEMBL14349682 0.88 MAP3K12 (0.37) MAP3K12SYKPIK3CDPIM1PIK3CA
SCHEMBL20676296 0.77 CCR1 (0.42) MAP3K12PIK3CDPIM1PIK3CALRRK2
SCHEMBL23365116 0.77 PIK3CD (0.36) MAP3K12PIK3CDPIM1PIK3CAACVR2A
SCHEMBL29979707 0.77 PIK3CD (0.36) MAP3K12PIK3CDPIM1PIK3CAACVR2A
SCHEMBL24620393 0.75 MGLL (0.39) MAP3K12SYK
SCHEMBL23365111 0.74 PIK3CD (0.36) MAP3K12PIK3CDPIM1PIK3CAACVR2A
SCHEMBL29979625 0.74 PIK3CD (0.36) MAP3K12PIK3CDPIM1PIK3CAACVR2A
SCHEMBL25147093 0.74 CHRNA7 (0.40) MAP3K12PIK3CDPIM1PIK3CALRRK2
SCHEMBL14376103 0.74 NOS3 (0.41) MAP3K12PIK3CDPIM1PIK3CALRRK2
SCHEMBL3230699 0.71 MAP3K12 (0.53) MAP3K12PIM1LRRK2

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
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed