SCHEMBL31293979

SCHEMBL31293979

O=C(O)c1c[nH]n2ccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM5A P29375 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
AGER Q15109 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
NAPRT Q6XQN6 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL15558806 0.84 DYRK1B (0.34) KDM4EL3MBTL1
SCHEMBL18740147 0.84 DYRK1B (0.34) KDM4EL3MBTL1
SCHEMBL10716638 0.72 ALDH1A1 (0.41) KDM4EALDH1A1NOTUM
SCHEMBL6287856 0.64 NUDT1 (0.33) NAPRT
SCHEMBL15266367 0.64 KDM5A (0.40) KDM4EALDH1A1KDM5AMAPTLMNA
SCHEMBL1419899 0.63 KDM4E (0.50) KDM4EALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL20199464 0.63 GSK3A (0.42) KDM4EALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL7871163 0.62 KDM4E (0.40) KDM4EALDH1A1TDP1KDM4CL3MBTL1
SCHEMBL2499260 0.62 KDM4E (0.40) KDM4EALDH1A1TDP1KDM4CL3MBTL1
SCHEMBL2550512 0.62 KDM4E (0.37) KDM4EALDH1A1TDP1KDM4CKDM5A

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-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP disclosed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO disclosed