SCHEMBL5260778

SCHEMBL5260778

CN(C)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2N)C1.CN(C)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.64
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 2/20 0.44
LCK P06239 2/20 0.44
KDR P35968 2/20 0.44
TEK Q02763 2/20 0.44
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
INSR P06213 1/20 0.44
FES P07332 1/20 0.44

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
SCHEMBL1263896 0.94 LMNA (0.72) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1263898 0.94 LMNA (0.72) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1264233 0.88 ALDH1A1 (0.52) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1264236 0.88 ALDH1A1 (0.52) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL2973687 0.88 ALDH1A1 (0.52) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL2747371 0.87 MAPT (0.67) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL2747373 0.87 MAPT (0.67) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1264842 0.81 ALDH1A1 (0.55) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1264390 0.81 ALDH1A1 (0.55) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1264393 0.81 ALDH1A1 (0.55) LMNAMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
EP-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 WO disclosed