SCHEMBL30725441

SCHEMBL30725441

O=[N+]([O-])c1ccc(Cn2cc(Nc3ncccn3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 2/20 0.45
TGM2 P21980 1/20 0.43
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL29174610 0.85 MEN1 (0.52) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174664 0.83 MAPT (0.50) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174666 0.82 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174650 0.80 HDAC3 (0.50) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174600 0.79 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174698 0.78 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174722 0.77 MEN1 (0.51) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174625 0.77 HDAC3 (0.49) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL4583278 0.75 HPGD (0.61) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL15662405 0.74 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2CYP1A2

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
CN-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 CN disclosed