SCHEMBL23673752

SCHEMBL23673752

C=CC(=O)N1CCCC(Nc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)CC1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.88
BTK Q06187 17/20 0.88
EGFR P00533 3/20 0.85

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
SCHEMBL23673750 1.00 JAK3 (0.88) JAK3BTKEGFR
SCHEMBL22496849 0.93 JAK3 (1.00) JAK3BTKEGFR
SCHEMBL22496854 0.93 JAK3 (1.00) JAK3BTKEGFR
SCHEMBL14801750 0.92 EGFR (1.00) JAK3BTKEGFR
SCHEMBL14801705 0.92 EGFR (1.00) JAK3BTKEGFR
SCHEMBL14821931 0.92 EGFR (1.00) JAK3BTKEGFR
SCHEMBL23690741 0.91 JAK3 (0.90) JAK3BTKEGFR
SCHEMBL23690756 0.91 JAK3 (0.90) JAK3BTKEGFR
SCHEMBL23690742 0.91 JAK3 (0.90) JAK3BTKEGFR
SCHEMBL14801510 0.88 EGFR (0.87) JAK3BTKEGFR

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-115244055-A Pyrimido five-membered ring derivative and application thereof 江苏先声药业有限公司 2022-10-25 CN disclosed
WO-2021147953-A1 PYRIMIDO FIVE-MEMBERED RING DERIVATIVE AND APPLICATION THEREOF 江苏先声药业有限公司 2021-07-29 WO disclosed
WO-2021147953-A1 PYRIMIDO FIVE-MEMBERED RING DERIVATIVE AND APPLICATION THEREOF 江苏先声药业有限公司 2021-07-29 WO disclosed