SCHEMBL29050472

SCHEMBL29050472

Cc1nnn(C)c1-c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
PIK3CD O00329 1/20 0.41
NOTUM Q6P988 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
CHRNA3 P32297 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA7 P36544 1/20 0.37
PDE10A Q9Y233 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
AR P10275 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29050464 0.83 MEN1 (0.40) MEN1KMT2ACHRNB2CHRNA4PIK3CD
SCHEMBL16200254 0.80 MEN1 (0.47) MEN1KMT2ACHRNB2CHRNA4PIK3CD
SCHEMBL30231174 0.80 ATM (0.48) MEN1KMT2APIK3CDNPC1RAB9A
SCHEMBL29050476 0.77 DRD2 (0.48) MEN1KMT2ACHRNB2CHRNA4CHRNA3
SCHEMBL24185712 0.75 SMN1; SMN2 (0.54) MEN1KMT2ACHRNB2CHRNA4PIK3CD
SCHEMBL30231061 0.74 GRIN2B (0.41) KDM4EALDH1A1HPGDHTT
SCHEMBL16861812 0.73 PIK3CD (0.44) PIK3CD
SCHEMBL22230040 0.72 PIK3CD (0.43) MEN1KMT2ACHRNB2CHRNA4PIK3CD
SCHEMBL22230141 0.72 CHRNB2 (0.40) MEN1KMT2ACHRNB2CHRNA4PIK3CD
SCHEMBL29050459 0.72 BRD4 (0.34)

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-116568676-A IL-17A modulators 赛诺菲 2023-08-08 CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed
EP-4157827-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 EP disclosed