SCHEMBL1663874

SCHEMBL1663874

OC1CCN(c2ccc(Nc3ccc4c(c3)ncn4-c3cc[c]cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.46
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 5/20 0.42
FGFR1 P11362 2/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 4/20 0.39
CYP17A1 P05093 1/20 0.38
SYK P43405 3/20 0.38
MKNK1 Q9BUB5 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1664480 0.78 SYK (0.44) WEE1SMN1; SMN2FGFR1LMNASYK
SCHEMBL1664810 0.78 TNIK (0.43) WEE1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8771368 0.76 MAPT (0.54) RAB9ASMN1; SMN2NPC1LMNAHPGD
SCHEMBL6129016 0.75 NPC1 (0.47) RAB9ASMN1; SMN2NPC1LMNAHPGD
SCHEMBL1663867 0.74 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1JAK2JAK3
SCHEMBL1664812 0.72 ESR1 (0.46) RAB9ASMN1; SMN2NPC1LMNAHPGD
SCHEMBL24865211 0.71 ALDH1A1 (0.46) RAB9ASMN1; SMN2NPC1LMNAHPGD
SCHEMBL30336404 0.71 ALDH1A1 (0.46) RAB9ASMN1; SMN2NPC1LMNAHPGD
SCHEMBL444546 0.71 L3MBTL3 (0.41) LMNAMAPTHTT
SCHEMBL28805590 0.70 NPC1 (0.42) WEE1RAB9ASMN1; SMN2NPC1LMNA

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