SCHEMBL14715804

SCHEMBL14715804

C#Cc1cccnc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 3/20 0.40
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
SARM1 Q6SZW1 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
Bicarbonate SCHEMBL3475263 0.96 KDM4E (0.42) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL21230286 0.83 KDM4E (0.55) KDM4EALDH1A1MAPTCYP3A4ALOX15
Benzene SCHEMBL1202117 0.83 KDM4E (0.55) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL3538383 0.83 KDM4E (0.41) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL3254218 0.81 KDM4E (0.48) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL10435078 0.81 KDM4E (0.48) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL1202477 0.79 KDM4E (0.50) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL22853848 0.77 L3MBTL1 (0.55) KDM4EALDH1A1MAPTALOX15NPSR1
SCHEMBL28442896 0.76 PLAU (0.37) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL29113201 0.75 KDM4E (0.39) KDM4EALDH1A1MAPTCYP3A4ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP claimed
EP-3749664-A1 COMPOUNDS WHICH CAUSE DEGRADATION OF EGFR, FOR USE AGAINST CANCER F. Hoffmann-La Roche AG (CH) 2020-12-16 EP disclosed
WO-2019149922-A1 COMPOUNDS WHICH CAUSE DEGRADATION OF EGFR, FOR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2019-08-08 WO disclosed