SCHEMBL8511658

SCHEMBL8511658

CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3ccc(NC4CCCC4)c(C(C)(C)C)c3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
ALOX5 P09917 1/20 0.44
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
MAP4K4 O95819 1/20 0.41
LRRK2 Q5S007 1/20 0.41
SYK P43405 1/20 0.41
WNT3A P56704 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
ACHE P22303 1/20 0.40
ROCK2 O75116 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8510921 0.84 TBK1 (0.49) GPR119ALOX5SYKDDB1CRBN
SCHEMBL8515822 0.83 PRKD1 (0.46) HRH4PRKD1PRKD2
SCHEMBL3267870 0.76 CKS1B (0.65) GPR119CKS1BSKP1SKP2MAP4K4
SCHEMBL27091045 0.75 CKS1B (0.53) GPR119CKS1BSKP1SKP2MAP4K4
SCHEMBL2015195 0.75 CKS1B (0.46) GPR119CKS1BSKP1SKP2MAP4K4
SCHEMBL1580957 0.74 PRKD1 (0.55) GPR119CKS1BSKP1SKP2SYK
SCHEMBL2545603 0.73 CKS1B (0.52) GPR119CKS1BSKP1SKP2MAP4K4
SCHEMBL8514479 0.72 TBK1 (0.50) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL1592040 0.72 PRKD1 (0.63) SYKPRKD1PRKD2TBK1
SCHEMBL1580476 0.72 PRKD1 (0.76) SYKPRKD1PRKD2

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
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed