SCHEMBL20014219

SCHEMBL20014219

O=C(Cc1cnc(NC(=O)Cc2cccnc2)s1)Nc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 5/20 0.52
▸ CDK2 P24941 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ CDK5 Q00535 3/20 0.52
▸ GLS O94925 5/20 0.51
▸ CCNB2 O95067 2/20 0.49
▸ CCNE2 O96020 2/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ CDK4 P11802 2/20 0.49
▸ CCNB1 P14635 2/20 0.49
▸ CCND1 P24385 2/20 0.49
▸ CCNB3 Q8WWL7 2/20 0.49
▸ CCND2 P30279 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ PSMB8 P28062 1/20 0.49
▸ PDE3B Q13370 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL20014229 0.84 CCNE1 (0.62) CCNE1CDK2CDK5GLSCCNB2
SCHEMBL20014202 0.84 MAPT (0.56) CCNE1CDK2MEN1KMT2ACDK5
SCHEMBL20014200 0.81 NPC1 (0.59) CCNE1CDK2MEN1KMT2ACDK5
SCHEMBL27578137 0.81 CCNE1 (0.76) CCNE1CDK2CDK5GLSCCNB2
SCHEMBL20014231 0.81 CCNE1 (0.58) CCNE1CDK2CDK5GLSCCNB2
SCHEMBL5836526 0.81 CCNE1 (0.64) CCNE1CDK2MEN1KMT2ACDK5
SCHEMBL5835963 0.79 CCNE1 (0.58) CCNE1CDK2CDK5GLSCCNB2
SCHEMBL5483910 0.77 CCNE1 (0.71) CCNE1CDK2CDK5GLSCCNB2
SCHEMBL13694242 0.77 GLS (0.59) CCNE1CDK2CDK5GLSCCNB2
SCHEMBL5780928 0.76 CCNE1 (0.72) CCNE1CDK2CDK5GLS

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-4275759-A2 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-11-15 — — EP disclosed
EP-3515449-B1 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER DANA FARBER CANCER INST INC (US) 2023-07-12 — — EP disclosed
WO-2018058029-A1 CHROMOBOX PROTEIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-29 — — WO disclosed
Send feedback