SCHEMBL4593670

SCHEMBL4593670

N#Cc1c[nH]c2c(C(N)=O)cc(C[CH]C(=O)[N+]3(C4CCNCC4)CCCCC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.39
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35
CSF1R P07333 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL4593488 0.78
SCHEMBL4593121 0.78 PLK4 (0.35) CSF1RBTK
SCHEMBL4585952 0.76
SCHEMBL4616261 0.75 PARP2 (0.32)
SCHEMBL4852839 0.73 L3MBTL3 (0.34) MAP3K5IKBKBBTK
SCHEMBL4593642 0.71 JAK2 (0.30)
SCHEMBL6135661 0.67 SLC6A2 (0.38)
SCHEMBL4594181 0.67
SCHEMBL4586225 0.64
SCHEMBL6135611 0.64

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-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP claimed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP claimed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO claimed