SCHEMBL29003137

SCHEMBL29003137

CCC1CN(C(=O)O)CCN1c1ncc(Cl)c(SC)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.33
P2RY12 Q9H244 1/20 0.33
CXCR3 P49682 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CETP P11597 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MDM2 Q00987 2/20 0.32
TDP1 Q9NUW8 1/20 0.30
SMO Q99835 1/20 0.30
CFD P00746 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL29003135 1.00 JAK3 (0.33) JAK3P2RY12CXCR3MAPTALDH1A1
SCHEMBL29003138 0.86 GPR119 (0.41)
SCHEMBL30456370 0.86 GPR119 (0.41)
SCHEMBL29003136 0.86 GPR119 (0.41)
SCHEMBL29003133 0.85 SLC6A7 (0.40) ALDH1A1MEN1KMT2ASMO
SCHEMBL29003128 0.85 SLC6A7 (0.40) ALDH1A1MEN1KMT2ASMO
SCHEMBL27233727 0.74 MDM2 (0.41) CXCR3MAPTALDH1A1CETPMEN1
SCHEMBL27233731 0.74 MDM2 (0.41) CXCR3MAPTALDH1A1CETPMEN1
SCHEMBL10372774 0.74 SLC6A7 (0.46) P2RY12ALDH1A1
SCHEMBL27233813 0.74 MDM2 (0.41) CXCR3MAPTALDH1A1CETPMEN1

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-116157122-A Imidazo [1,2-a ] pyridine compounds and their use in therapy 帝国理工学院创新有限公司 2023-05-23 CN disclosed