SCHEMBL31434331

SCHEMBL31434331

NC(=O)Cc1ccc2c(Br)cccc2n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
GRM2 Q14416 1/20 0.40
CDK9 P50750 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
DYRK2 Q92630 1/20 0.39
SLC9A1 P19634 1/20 0.38
GRM5 P41594 1/20 0.38
KCNH2 Q12809 1/20 0.38
ACHE P22303 2/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.36
ACACA Q13085 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYMS P04818 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL31434348 0.78 GRM5 (0.45) CDK9DYRK1AGRM5KCNH2ACHE
SCHEMBL2706604 0.76 BACE1 (0.56) BACE1CDK9DYRK1ADYRK1BDYRK2
SCHEMBL29877127 0.75 CYP1A2 (0.63) BACE1CYP1A2LMNASMN1; SMN2KDM4E
SCHEMBL5503169 0.75 CYP1A2 (0.63) BACE1CYP1A2LMNASMN1; SMN2KDM4E
SCHEMBL12433302 0.75 BACE1 (0.55) BACE1CDK9DYRK1ADYRK1BDYRK2
SCHEMBL24695125 0.75 BACE1 (0.55) BACE1GRM5KCNH2CYP1A2TYMS
SCHEMBL29923487 0.75 BACE1 (0.55) BACE1GRM5KCNH2CYP1A2TYMS
SCHEMBL13155513 0.73 FAAH (0.40) LMNA
SCHEMBL18365930 0.71 MGAM (0.56) BACE1GRM2CDK9DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL31026892 0.71 GRIN2D (0.39) GRM5LMNA

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-119462501-A Preparation method of 2-quinolinamide compound promoted by acidic ionic liquid 内蒙古民族大学 2025-02-18 CN disclosed