SCHEMBL5133264

SCHEMBL5133264

O=C(O)c1nn2cccnc2c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNQ3 O43525 5/20 0.40
KCNQ2 O43526 5/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ELANE P08246 1/20 0.36
PIK3CG P48736 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL4428622 0.87 IRAK4 (0.42) APOBEC3AAPOBEC3GALDH1A1L3MBTL1KCNQ3
SCHEMBL3712511 0.76 APOBEC3A (0.45) APOBEC3AAPOBEC3GALDH1A1L3MBTL1HPGD
SCHEMBL30627413 0.76 ELANE (0.42) APOBEC3AAPOBEC3GALDH1A1L3MBTL1KCNQ3
SCHEMBL1662676 0.74 EPHB3 (0.39) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL27110045 0.73 KCNQ3 (0.51) APOBEC3AAPOBEC3GALDH1A1L3MBTL1KCNQ3
SCHEMBL27110046 0.72 APOBEC3A (0.45) APOBEC3AAPOBEC3GALDH1A1L3MBTL1KCNQ3
SCHEMBL4867147 0.69 KCNQ3 (0.52) KCNQ3KCNQ2
SCHEMBL17460386 0.69 IRAK4 (0.45) APOBEC3AAPOBEC3GALDH1A1L3MBTL1KCNQ3
Trifluoroacetic Acid SCHEMBL30194359 0.69 PIK3CG (0.42) PIK3CG
SCHEMBL17460367 0.69 ALDH1A1 (0.46) APOBEC3AALDH1A1L3MBTL1KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-A4 PYRAZOLOPYRIMIDINES ICAGEN INC (US) 2008-01-02 EP disclosed
EP-1506196-A2 PYRAZOLOPYRIMIDINES Icagen, Inc. (US) 2005-02-16 EP disclosed
WO-2003037900-A2 PYRAZOLOPYRIMIDINES ICAGEN, INC. (US) 2003-05-08 WO disclosed