SCHEMBL7014049

SCHEMBL7014049

Clc1ncc(Cl)c(Cl)n1.O=c1[nH]cc(Cl)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
DPYD Q12882 4/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RPS6KA5 O75582 2/20 0.33
DAO P14920 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL67366 0.78
SCHEMBL29372810 0.74
SCHEMBL155314 0.74
SCHEMBL4458211 0.71 PIN1 (0.39) TYRO3DYRK1BALDH1A1LMNA
5-Bromouracil SCHEMBL5449794 0.68 DPYD (0.42) DPYDALDH1A1GAAATAD2LMNA
SCHEMBL7250168 0.68 DPYD (0.76) DPYDALDH1A1GAAATAD2LMNA
Fluorouracil SCHEMBL29008252 0.68 LMNA (0.76) DPYDALDH1A1GAAATAD2LMNA
Guanine SCHEMBL7513533 0.65 KDM4E (0.46) ALDH1A1GAALMNAMAPTHBB
Guanine SCHEMBL7513549 0.65 PNP (0.70) ALDH1A1MAPTKDM4E
SCHEMBL13314193 0.62 ALDH1A1 (0.41) DPYDALDH1A1GAAATAD2LMNA

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-1268444-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-02 EP disclosed
WO-2001064655-A1 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO disclosed