SCHEMBL24629142

SCHEMBL24629142

Nc1nc(=O)c2c(I)c[nH]c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.38
DPYD Q12882 1/20 0.34
PNP P00491 2/20 0.33
CYP3A4 P08684 1/20 0.33
BLM P54132 1/20 0.33
CHEK1 O14757 1/20 0.33
DYRK1A Q13627 1/20 0.32

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
SCHEMBL4722932 0.79 XDH (0.36) TYMSPNPCYP3A4BLM
SCHEMBL28919394 0.79 FGFR1 (0.36) TYMSPNPCYP3A4BLMDYRK1A
SCHEMBL20206646 0.76 PNP (0.36) PNP
SCHEMBL25899172 0.75 L3MBTL1 (0.32) PNPCYP3A4BLM
SCHEMBL25899106 0.75 CHEK1 (0.35) TYMSPNPCYP3A4BLMCHEK1
SCHEMBL20202010 0.72 PNP (0.36) PNP
SCHEMBL20206756 0.72 PNP (0.39) TYMSPNP
SCHEMBL15061831 0.71 TYMS (0.48) TYMSCHEK1DYRK1A
SCHEMBL20202013 0.70 PNP (0.39) PNP
SCHEMBL20202014 0.67 PNP (0.37) PNP

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
WO-2022272307-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS LYCIA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
WO-2022150721-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS LYCIA THERAPEUTICS, INC. (US) 2022-07-14 WO disclosed