SCHEMBL14175915

SCHEMBL14175915

C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(cccc3[nH]c1=O)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 12/20 1.00
▸ CDK1 P06493 2/20 1.00
▸ CDK2 P24941 2/20 1.00
▸ CDK6 Q00534 2/20 1.00
▸ GSK3B P49841 1/20 1.00
▸ CDK5 Q00535 1/20 1.00
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL13866238 1.00 CDK4 (1.00) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866185 0.90 CDK4 (0.82) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866248 0.90 CDK4 (0.82) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866152 0.90 CDK4 (0.81) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866180 0.90 CDK4 (0.81) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866190 0.89 CDK4 (0.80) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866171 0.89 CDK4 (0.80) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866203 0.88 CDK4 (0.79) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866169 0.88 CDK4 (0.79) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866200 0.88 CDK4 (0.79) CDK4CDK1CDK2CDK6GSK3B

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 5 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
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — US disclosed
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