SCHEMBL15061831

SCHEMBL15061831

Nc1nc2[nH]cc(I)c2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.48
DYRK1A Q13627 1/20 0.46
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHEK1 O14757 1/20 0.40

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
SCHEMBL18520454 0.80 DYRK1A (0.47) TYMSDYRK1AMAPTKDM4EALDH1A1
SCHEMBL12884842 0.79 TYMS (0.46) TYMSDYRK1AMAPTKDM4EALDH1A1
SCHEMBL12820951 0.79 DYRK1A (0.46) TYMSDYRK1A
SCHEMBL24704369 0.79 DYRK1A (0.46) TYMSDYRK1AMAPTKDM4EALDH1A1
SCHEMBL7851196 0.79 TYMS (0.48) TYMSALDH1A1CHEK1
SCHEMBL21161374 0.76 TYMS (0.49) TYMS
SCHEMBL166747 0.76 TYMS (0.49) TYMS
SCHEMBL3793648 0.75 DYRK1A (0.42) TYMSDYRK1AMAPTKDM4EALDH1A1
SCHEMBL22227944 0.75 TYMS (0.50) TYMSDYRK1A
SCHEMBL3391755 0.75 DYRK1A (0.42) TYMSDYRK1AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607369-A1 Modified nucleotides for polynucleotide sequencing Illumina Cambridge Limited (GB) 2013-06-26 EP disclosed