SCHEMBL24233232

SCHEMBL24233232

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1nnc(-c2ccncc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 17/20 1.00
▸ WRN Q14191 4/20 0.78
▸ MCL1 Q07820 5/20 0.76
▸ HTT P42858 4/20 0.76
▸ KDM4E B2RXH2 3/20 0.76
▸ LMNA P02545 2/20 0.76
▸ POLB P06746 2/20 0.76
▸ GAA P10253 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ ALDH1A1 P00352 1/20 0.76
▸ DNMT1 P26358 1/20 0.76
▸ DUSP3 P51452 1/20 0.76
▸ CACNA1B Q00975 1/20 0.76
▸ APBA1 Q02410 1/20 0.76
▸ TDP1 Q9NUW8 1/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64

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
SCHEMBL20659647 0.88 BLM (1.00) BLMWRNMCL1HTTKDM4E
SCHEMBL29602870 0.88 BLM (1.00) BLMWRNMCL1HTTKDM4E
SCHEMBL24232837 0.83 BLM (0.80) BLMWRNMCL1HTTKDM4E
SCHEMBL11865712 0.83 CA1 (0.71) BLMWRNHTTSMN1; SMN2RAB9A
SCHEMBL24233015 0.83 BLM (0.77) BLMWRNMCL1HTTKDM4E
SCHEMBL24232825 0.83 BLM (0.76) BLMWRNMCL1HTTKDM4E
SCHEMBL24233115 0.81 BLM (0.69) BLMWRNMCL1HTTKDM4E
SCHEMBL24233005 0.78 BLM (0.76) BLMWRNMCL1HTTKDM4E
SCHEMBL16628086 0.78 KDR (0.68) BLMPOLBKMT2AMEN1RAB9A
SCHEMBL24233029 0.78 HTT (1.00) BLMWRNMCL1HTTKDM4E

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
WO-2022026823-A1 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2022-02-03 — — WO disclosed
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