SCHEMBL1664041

SCHEMBL1664041

Cc1c(C(=O)Nc2ccc(Nc3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3)c(F)c2)cn(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.41
LCK P06239 6/20 0.40
MAPK14 Q16539 6/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MCL1 Q07820 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGDS O60760 1/20 0.38
KDR P35968 5/20 0.38

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
SCHEMBL6126420 0.95 NPC1 (0.45) PDE7ALCKMAPK14MAPTALDH1A1
SCHEMBL1666529 0.85 MAPT (0.41) PDE7ALCKMAPK14MAPTALDH1A1
SCHEMBL6126449 0.85 NPC1 (0.47) PDE7ALCKMAPK14MAPTALDH1A1
SCHEMBL6126025 0.85 NPC1 (0.47) PDE7ALCKMAPK14MAPTALDH1A1
SCHEMBL1664832 0.82 PDE7A (0.41) PDE7ALCKMAPK14MAPTALDH1A1
SCHEMBL1663915 0.81 PDE7A (0.42) PDE7AMAPTALDH1A1MCL1KMT2A
SCHEMBL1664802 0.81 HPGDS (0.55) PDE7AMAPTKMT2ANPC1RAB9A
SCHEMBL1665848 0.81 PDE7A (0.40) PDE7AMAPTALDH1A1KMT2ANPC1
SCHEMBL1664362 0.81 HPGDS (0.56) PDE7AMAPTALDH1A1MCL1NPC1
SCHEMBL1666960 0.81 ALDH1A1 (0.46) PDE7AMAPK14MAPTALDH1A1NPC1

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-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed