SCHEMBL8304580

SCHEMBL8304580

O=C(O)c1cccnc1-c1nccc(-c2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
DHODH Q02127 3/20 0.47
NAPRT Q6XQN6 1/20 0.46
KMO O15229 3/20 0.43
TGFBR1 P36897 1/20 0.43
SMO Q99835 2/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
CAMK2D Q13557 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL8305333 0.89 KDM4E (0.59) KDM4ETDP1DHODHNAPRTSMO
SCHEMBL3712467 0.82 KDM4E (0.67) KDM4ETDP1KMT2ADHODHNAPRT
SCHEMBL2802417 0.78 CYP19A1 (0.52) KDM4ETDP1MEN1KMT2ANPC1
SCHEMBL8308388 0.78 KMO (0.62) KDM4ETDP1NPC1RAB9AKMO
SCHEMBL8307098 0.78 KMO (0.62) KDM4ETDP1MEN1KMT2ANPC1
SCHEMBL25780881 0.77 KDM4E (0.80) KDM4ETDP1NPC1RAB9ADHODH
SCHEMBL4902003 0.77 MEN1 (0.69) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL2797699 0.75 CYP19A1 (0.55) KDM4ETDP1MEN1KMT2ANPC1
SCHEMBL4903205 0.74 KMO (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL8307172 0.74 KDM4E (0.53) KDM4ETDP1MEN1KMT2ANPC1

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-0739341-B1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES NOVARTIS AG (CH) 1999-06-02 EP disclosed
EP-0739341-A1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES Novartis AG (CH) 1996-10-30 EP disclosed
WO-1995019358-A1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES SANDOZ LTD. (CH) 1995-07-20 WO disclosed