SCHEMBL29644975

SCHEMBL29644975

OCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.81
▸ CDK2 P24941 14/20 0.74
▸ CCNE1 P24864 12/20 0.74

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
SCHEMBL12953527 1.00 GSK3B (0.81) GSK3BCDK2CCNE1
SCHEMBL12954243 0.91 GSK3B (0.83) GSK3BCDK2CCNE1
SCHEMBL12953132 0.90 CDK2 (0.72) GSK3BCDK2CCNE1
SCHEMBL13304942 0.90 GSK3B (0.81) GSK3BCDK2CCNE1
SCHEMBL12954130 0.90 GSK3B (0.81) GSK3BCDK2CCNE1
SCHEMBL12953029 0.90 GSK3B (1.00) GSK3BCDK2CCNE1
SCHEMBL12953734 0.88 GSK3B (0.85) GSK3BCDK2CCNE1
SCHEMBL12954129 0.87 GSK3B (0.82) GSK3BCDK2CCNE1
SCHEMBL12953395 0.87 GSK3B (0.80) GSK3BCDK2CCNE1
SCHEMBL12953192 0.87 GSK3B (0.77) GSK3BCDK2CCNE1

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
EP-4256086-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-10-11 — — EP disclosed
EP-4162076-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-04-12 — — EP disclosed
WO-2022119842-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER (US) 2022-06-09 — — WO disclosed
Send feedback