SCHEMBL29174698

SCHEMBL29174698

Cn1nccc1-c1nc(Nc2cnn(Cc3ccc([N+](=O)[O-])cc3)c2)ncc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 10/20 0.47
HDAC1 Q13547 9/20 0.47
CDK9 P50750 5/20 0.47
CDK7 P50613 3/20 0.47
RPS6KB1 P23443 1/20 0.47
FLT3 P36888 1/20 0.47
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47
HDAC8 Q9BY41 3/20 0.44
NCOR2 Q9Y618 1/20 0.44
HDAC6 Q9UBN7 5/20 0.43
JAK2 O60674 2/20 0.43
HDAC4 P56524 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
SCHEMBL29174688 0.87 HDAC3 (0.47) HDAC3HDAC1CDK9CDK7RPS6KB1
SCHEMBL30725499 0.87 HDAC3 (0.47) HDAC3HDAC1CDK9CDK7RPS6KB1
SCHEMBL29174650 0.84 HDAC3 (0.50) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174666 0.83 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174654 0.82 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174676 0.82 JAK3 (0.59) HDAC3HDAC1CDK9CDK7RPS6KB1
SCHEMBL29174721 0.81 MEN1 (0.46) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174722 0.80 MEN1 (0.51) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL29174600 0.79 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL30725441 0.78 MEN1 (0.56) 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