SCHEMBL4593121

SCHEMBL4593121

NC(=O)c1cc(C[CH]C(=O)[N+]2(C3CCNCC3)CCCCC2)cc2cn[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
CSNK1A1 P48729 1/20 0.35
PRKX P51817 1/20 0.35
CDK5 Q00535 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MST1R Q04912 1/20 0.35
PTK2 Q05397 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL4594181 0.87
SCHEMBL4593488 0.81
SCHEMBL4585952 0.80
SCHEMBL4616261 0.78 PARP2 (0.32) PARP1
SCHEMBL4593670 0.78 MAP3K5 (0.39) CSF1RBTK
SCHEMBL5658727 0.76 BTK (0.36) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL5660488 0.75 PARP1 (0.35) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL4593642 0.75 JAK2 (0.30) JAK3
SCHEMBL6135661 0.74 SLC6A2 (0.38) CHEK1PDGFRA
SCHEMBL5662184 0.74 CALCA (0.35)

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 6 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
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO disclosed