SCHEMBL16424643

SCHEMBL16424643

COc1cc(O)nc(-c2cc(Cl)ccc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PRKD3 O94806 1/20 0.36
TGFBR1 P36897 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
AGPAT2 O15120 2/20 0.35
AMY1A P0DUB6 1/20 0.35
HTR2B P41595 1/20 0.34
PDE4D Q08499 1/20 0.34
LMNA P02545 2/20 0.34
IDH2 P48735 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL8344305 0.85 RECQL (0.39) RECQLALDH1A1KDM4EMEN1KMT2A
SCHEMBL8344303 0.84 HTR2B (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8344437 0.77 HTR2B (0.44) RECQLALDH1A1KDM4EMEN1KMT2A
SCHEMBL8774866 0.75 IDH2 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2AMY1A
SCHEMBL4282014 0.75 RECQL (0.57) RECQLALDH1A1KDM4EMEN1KMT2A
SCHEMBL8348238 0.74 TGFBR1 (0.53) MEN1KMT2ASMN1; SMN2HPGDTSHR
SCHEMBL8344301 0.72 ADORA3 (0.55) KDM4E
SCHEMBL3824986 0.72 MAPT (0.42) MEN1KMT2ASMN1; SMN2PRKD3TGFBR1
SCHEMBL13649273 0.71 FGFR4 (0.42) RECQLALDH1A1KDM4EMEN1KMT2A
SCHEMBL13649274 0.70 HTR2B (0.44) ALDH1A1KMT2APRKD3TGFBR1PRKD1

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-2097084-B1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO] PYRIMIDINES FOR THE TREATMENT OF HEPATITIS C JANSSEN R & D IRELAND (IE) 2015-01-28 EP disclosed