SCHEMBL30822650

SCHEMBL30822650

Cc1c(Cl)ccc(F)c1C(=O)Nc1cc[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
SORT1 Q99523 1/20 0.37
RAB9A P51151 3/20 0.36
PTGES O14684 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
LRRK2 Q5S007 1/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAOB P27338 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29164630 1.00 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ABRD4TAS1R3
SCHEMBL29164555 0.90 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ABRD4TAS1R3
SCHEMBL706559 0.79 MEN1 (0.63) L3MBTL1MEN1KMT2ARAB9AJAK2
SCHEMBL29164565 0.78 MEN1 (0.51) L3MBTL1MEN1KMT2ARAB9AJAK2
SCHEMBL754986 0.76 RAB9A (0.52) L3MBTL1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL30822730 0.76 PDE10A (0.51) KMT2ATAS1R3TAS1R1TAS1R2SORT1
SCHEMBL29164864 0.76 PDE10A (0.51) KMT2ATAS1R3TAS1R1TAS1R2SORT1
SCHEMBL29164538 0.76 TYK2 (0.57) L3MBTL1KMT2ARAB9APTGESJAK2
SCHEMBL29164888 0.73 TYK2 (0.42) L3MBTL1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL3418472 0.72 RXFP1 (0.57) L3MBTL1MEN1KMT2ARAB9ANPC1

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-117659001-A Aminopyrimidine derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-03-08 CN disclosed