SCHEMBL28146348

SCHEMBL28146348

Ic1ccccc1-c1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ATM Q13315 1/20 0.55
ADORA2A P29274 4/20 0.50
NUDT1 P36639 3/20 0.50
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
F2 P00734 1/20 0.45
C1R P00736 1/20 0.45
PLG P00747 1/20 0.45
KLK1 P06870 1/20 0.45
PRSS1 P07477 1/20 0.45
C1S P09871 1/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL28147489 0.90 ADORA2A (0.56) MEN1KMT2AATMADORA2ANUDT1
SCHEMBL28147454 0.84 ALDH1A1 (0.48) MEN1KMT2AATMADORA2ANUDT1
SCHEMBL17412545 0.84 MEN1 (0.64) MEN1KMT2AATMADORA2ANUDT1
SCHEMBL13911018 0.84 MEN1 (0.64) MEN1KMT2AATMADORA2ANUDT1
SCHEMBL28146353 0.83 KDM4E (0.49) MEN1KMT2AATMADORA2ANUDT1
SCHEMBL9920500 0.82 MEN1 (0.70) MEN1KMT2AATMADORA2ANUDT1
SCHEMBL23009837 0.81 ADORA2A (0.44) MEN1KMT2AADORA2AMAPTGAA
SCHEMBL31065529 0.80 CYP1A2 (0.59) MEN1KMT2AATMADORA2ANUDT1
SCHEMBL18171541 0.80 L3MBTL1 (0.60) MEN1KMT2AATMADORA2ANUDT1
SCHEMBL18698038 0.80 CYP1A2 (0.60) MEN1KMT2AATMADORA2ANUDT1

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
CN-106632086-A 2-(2-iodoaryl)quinazoline compound and preparation method thereof 江西省林业科学院 2017-05-10 CN claimed
CN-106632086-B 2- (2- iodo aryl) quinazoline compounds and preparation method thereof 江西省林业科学院 2019-08-09 CN disclosed
CN-106632086-A 2-(2-iodoaryl)quinazoline compound and preparation method thereof 江西省林业科学院 2017-05-10 CN disclosed