SCHEMBL13604609

SCHEMBL13604609

Cc1cn(Cc2cccc(NC(=O)C3CN(C(=O)OC(C)(C)C)CCN3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
USP30 Q70CQ3 2/20 0.44
SIRT2 Q8IXJ6 3/20 0.40
ACKR3 P25106 9/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN5A Q14524 1/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 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
SCHEMBL4490858 0.87 SIRT2 (0.48) USP30SIRT2ACKR3JAK2JAK1
SCHEMBL13604611 0.87 JAK2 (0.49) SCN9AUSP30ACKR3JAK2JAK1
SCHEMBL13604571 0.87 SIRT2 (0.48) USP30SIRT2ACKR3JAK2JAK1
SCHEMBL13604610 0.87 JAK2 (0.49) SCN9AUSP30ACKR3JAK2JAK1
SCHEMBL13604580 0.81 SIRT2 (0.46) USP30SIRT2ACKR3PARP1PARP2
SCHEMBL5927859 0.80 JAK1 (0.42) USP30JAK2JAK1
SCHEMBL13604570 0.80 SIRT2 (0.41) SCN9ASIRT2ACKR3PARP1
SCHEMBL4484577 0.79 SIRT2 (0.48) SIRT2
SCHEMBL5927772 0.75 POLB (0.49)
SCHEMBL6632099 0.74 PTPN2 (0.47) SCN9AUSP30SCN3ASCN5A

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
US-7635697-B2 Farnesyl protein transferase inhibitors and methods for treating proliferative diseases SCHERING CORPORATION (US) 2009-12-22 US disclosed
US-7635697-B2 Farnesyl protein transferase inhibitors and methods for treating proliferative diseases SCHERING CORPORATION (US) 2009-12-22 US disclosed