SCHEMBL30558294

SCHEMBL30558294

CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)nc2)CC12CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
RET P07949 3/20 0.42
AKR1C3 P42330 1/20 0.42
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
WNT3A P56704 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.36
HPGD P15428 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
SCHEMBL20838957 1.00 JAK3 (0.44) JAK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30558296 0.87 JAK3 (0.46) JAK3RETMAPTMEN1KMT2A
SCHEMBL20839065 0.87 JAK3 (0.46) JAK3RETMAPTMEN1KMT2A
SCHEMBL20848279 0.86 JAK3 (0.46) JAK3RETMAPTMEN1KMT2A
SCHEMBL24649798 0.85 MEN1 (0.46) JAK3RETMAPTMEN1KMT2A
SCHEMBL30516042 0.85 MEN1 (0.46) JAK3RETMAPTMEN1KMT2A
SCHEMBL24649800 0.85 JAK3 (0.45) JAK3RETMAPTMEN1KMT2A
SCHEMBL12557792 0.83 JAK3 (0.48) JAK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20838955 0.83 MAPT (0.49) JAK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30558295 0.83 MAPT (0.49) JAK3CHRNB2CHRNB4CHRNA3CHRNA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111132981-B Process for preparing pyrido [1,2-A ] pyrimidin-4-one derivatives 豪夫迈·罗氏有限公司 2023-10-31 CN disclosed
CN-116813648-A Process for preparing 2- (2, 8-dimethylimidazo [1,2-B ] pyridazin-6-yl) pyrido [1,2-a ] pyrimidin-4-one derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed