SCHEMBL8512449

SCHEMBL8512449

CC(C)Oc1ccc(-c2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.46
PTPN11 Q06124 1/20 0.44
ACHE P22303 2/20 0.43
KIT P10721 2/20 0.42
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
GPR119 Q8TDV5 2/20 0.41
SMPD3 Q9NY59 1/20 0.41
MAP4K4 O95819 1/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CFTR P13569 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
SCHEMBL8511601 0.85 ACHE (0.47) PTPN11ACHECKS1BSKP1SKP2
SCHEMBL8513449 0.80 S1PR1 (0.42) PIK3CATLR9TLR7
SCHEMBL12804909 0.77 PIK3CA (0.48) PIK3CAPTPN11ACHEKITCKS1B
SCHEMBL2384006 0.75 GPR119 (0.48) PIK3CAPTPN11ACHEKITCKS1B
SCHEMBL8515547 0.74 ACHE (0.47) PTPN11ACHECKS1BSKP1SKP2
SCHEMBL27029508 0.74 CKS1B (0.50) PIK3CAPTPN11ACHEKITCKS1B
SCHEMBL30718251 0.74 CKS1B (0.50) PIK3CAPTPN11ACHEKITCKS1B
SCHEMBL2033275 0.74 PIK3CA (0.46) PIK3CAPTPN11ACHEKITCKS1B
SCHEMBL2015674 0.73 PIK3CA (0.45) PIK3CAPTPN11ACHEKITCKS1B
SCHEMBL8510959 0.71 CKS1B (0.44) CKS1BSKP1SKP2GPR119SMPD3

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