SCHEMBL4961975

SCHEMBL4961975

COc1ccc(-c2ccc(N3CCCC(C(N)=O)C3)nc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.51
▸ PIK3CA P42336 2/20 0.51
▸ PIK3CB P42338 2/20 0.51
▸ PIK3CG P48736 2/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ GAK O14976 1/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ FPR2 P25090 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ CDK9 P50750 1/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ PBK Q96KB5 1/20 0.42
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ DGAT2 Q96PD7 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL4966191 0.89 GAK (0.49) GAKFPR2SCN9ACDK9KDM4E
SCHEMBL613561 0.82 NPC1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL15911942 0.80 CDK9 (0.47) CDK9PBKEIF2AK4KDM4EABL1
SCHEMBL13658037 0.77 KDM4E (0.56) CDK9PBKEIF2AK4KDM4EABL1
SCHEMBL13662096 0.77 CDK9 (0.50) CDK9PBKEIF2AK4KDM4EABL1
SCHEMBL27991057 0.74 KDM4E (0.73) SCN9AEIF2AK4KDM4EABL1LMNA
SCHEMBL5430879 0.72 DGAT2 (0.49) CDK9PBKEIF2AK4KDM4EABL1
SCHEMBL23582992 0.72 KMT2A (0.56) KDM4EABL1LMNAKMT2A
SCHEMBL27856595 0.72 CDK9 (0.52) GAKFPR2SCN9ACDK9EIF2AK4
SCHEMBL27873347 0.72 CDK9 (0.52) GAKFPR2SCN9ACDK9EIF2AK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 — — EP claimed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 — — EP claimed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 — — WO claimed
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