SCHEMBL3435244

SCHEMBL3435244

CCCCOC(=O)N1CCCC(c2ccc(-n3cc4c(C(=O)OC)cc(F)cc4n3)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.39
PROKR1 Q8TCW9 9/20 0.35
JAK1 P23458 2/20 0.34
JAK2 O60674 1/20 0.34
BCL9 O00512 2/20 0.33
CTNNB1 P35222 2/20 0.33
NAMPT P43490 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL6519249 0.86 PDE4B (0.42) PDE4BJAK1JAK2ALDH1A1
SCHEMBL3435942 0.74 ALDH1A1 (0.35) PDE4BPROKR1BCL9CTNNB1NAMPT
SCHEMBL3410172 0.72 PROKR1 (0.38) PROKR1ALDH1A1
SCHEMBL23040449 0.71 LMNA (0.49) PDE4BPROKR1BCL9CTNNB1MEN1
SCHEMBL31386328 0.69 NPC1 (0.42) PDE4BPROKR1BCL9CTNNB1KDM4E
SCHEMBL6518971 0.69 BCL9 (0.36) PROKR1BCL9CTNNB1NAMPTALDH1A1
SCHEMBL6523422 0.69 POLB (0.42) PDE4BJAK1JAK2
SCHEMBL3413163 0.68 CA12 (0.41) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3434006 0.68 POLB (0.38) PDE4BMEN1ALDH1A1KMT2A
SCHEMBL3434005 0.68 POLB (0.38) PDE4BMEN1ALDH1A1KMT2A

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-2265611-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-12-29 EP disclosed
WO-2009112832-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-09-17 WO disclosed