SCHEMBL1664698

SCHEMBL1664698

N#CCn1cccc1C(=O)Nc1ccc(C(=O)c2ccc(Nc3ccc(N4CCC(O)CC4)cc3Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
JAK2 O60674 4/20 0.35
AR P10275 1/20 0.34
JAK1 P23458 3/20 0.34
JAK3 P52333 3/20 0.34
F10 P00742 3/20 0.34
TYK2 P29597 1/20 0.34
SYK P43405 1/20 0.34
EGFR P00533 3/20 0.34
TNIK Q9UKE5 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
WDR91 A4D1P6 1/20 0.33
GRM2 Q14416 1/20 0.33
MT-CO2 P00403 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 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
SCHEMBL1664702 0.90 MEN1 (0.42) HPGDSARNPC1RAB9A
SCHEMBL8771316 0.86 HPGDS (0.46) HPGDSNPC1RAB9A
SCHEMBL1666388 0.85 HPGDS (0.46) HPGDSJAK2JAK1JAK3TNIK
SCHEMBL1666384 0.85 HPGDS (0.48) HPGDSJAK2JAK1JAK3TYK2
SCHEMBL1664979 0.81 HPGDS (0.43) HPGDSTNIKNPC1RAB9AMT-CO2
SCHEMBL1664928 0.80 HPGDS (0.55) HPGDSEGFRNPC1RAB9AMT-CO2
SCHEMBL1665814 0.79 RAB9A (0.44) HPGDSNPC1RAB9AGRM2MT-CO2
SCHEMBL1664977 0.79 HPGDS (0.44) HPGDSEGFRRAB9AGRM2MT-CO2
SCHEMBL1663366 0.77 HPGDS (0.54) HPGDSTNIKNPC1RAB9A
SCHEMBL1667509 0.77 HPGDS (0.54) HPGDSTNIKNPC1RAB9A

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-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed