SCHEMBL5262033

SCHEMBL5262033

CCc1cnc(-c2cccc(Nc3ccc(N4CCCCC4=O)cn3)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.35
AKR1C3 P42330 1/20 0.35
USP2 O75604 1/20 0.34
TYK2 P29597 3/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
LYN P07948 1/20 0.33
SRC P12931 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HPGDS O60760 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
FFAR1 O14842 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
Hydrochloric Acid SCHEMBL4896752 0.99 F10 (0.35) F10AKR1C3USP2TYK2LMNA
SCHEMBL4891094 0.97 AKR1C3 (0.35) AKR1C3USP2TYK2LMNAMAPT
SCHEMBL4895704 0.88 F10 (0.36) F10AKR1C3TYK2PIM1PIM3
SCHEMBL4903017 0.86 F10 (0.40) F10AKR1C3TYK2LMNAHPGD
SCHEMBL4899219 0.85 F10 (0.35) F10AKR1C3TYK2PIM1PIM3
SCHEMBL27662832 0.84 CCNA2 (0.41) TYK2LYNSRC
Hydrochloric Acid SCHEMBL4904855 0.84 CCNA2 (0.39) TYK2LYNSRC
Hydrochloric Acid SCHEMBL4896665 0.84 NPC1 (0.36) AKR1C3TYK2LMNASRCHPGD
Hydrochloric Acid SCHEMBL4899525 0.84 CCNA2 (0.41) TYK2LYNSRC
SCHEMBL4900748 0.83 F10 (0.37) F10AKR1C3TYK2LMNAMAPT

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-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed