SCHEMBL5332280

SCHEMBL5332280

COc1ccccc1-c1ccc(Nc2cccc(-n3cc(C)cn3)n2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.50
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
WNT3A P56704 1/20 0.39
TTK P33981 5/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
ABL1 P00519 1/20 0.37
AVPR2 P30518 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL4903204 0.84 KDM4E (0.43) EGLN1MAPTNPSR1GRM5
SCHEMBL4904831 0.82 ALDH1A1 (0.39) EGLN1USP2MAPTALOX15TSHR
Hydrochloric Acid SCHEMBL4904519 0.81 ALDH1A1 (0.38) EGLN1USP2MAPTALOX15TSHR
SCHEMBL4896598 0.79 ALDH1A1 (0.43) MAPTNPSR1JAK2JAK1TYK2
SCHEMBL4895051 0.78 ALDH1A1 (0.45) EGLN1MAPTNPSR1WNT3AABL1
Hydrochloric Acid SCHEMBL4896673 0.77 ALDH1A1 (0.45) EGLN1MAPTNPSR1WNT3AABL1
SCHEMBL4899608 0.77 CYP1A2 (0.41) USP2MAPTALOX15TSHRSMN1; SMN2
SCHEMBL4899881 0.77 TSHR (0.39) MAPTALOX15TSHRNPSR1GRM5
SCHEMBL4892363 0.75 CYP1A2 (0.35) EGLN1MAPTNPSR1CDK2
SCHEMBL3128924 0.72 KDM4E (0.42) EGLN1MAPTNPSR1

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