SCHEMBL24232995

SCHEMBL24232995

CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3ccncc3)s2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ BLM P54132 10/20 0.53
▸ KDM4E B2RXH2 6/20 0.53
▸ HTT P42858 4/20 0.53
▸ MCL1 Q07820 4/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ PSMD14 O00487 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ POLB P06746 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 2/20 0.52
▸ GAA P10253 2/20 0.52

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
SCHEMBL24233006 0.86 KMT2A (0.58) KMT2AMEN1BLMKDM4EHTT
SCHEMBL24232866 0.83 KMT2A (0.75) KMT2AMEN1BLMKDM4EHTT
SCHEMBL24233028 0.79 KDM4E (0.46) KMT2AMEN1BLMKDM4EHTT
SCHEMBL24233017 0.78 CDK5 (0.67) KMT2AMEN1BLMKDM4EHTT
SCHEMBL24233120 0.78 BLM (0.59) KMT2AMEN1BLMKDM4EHTT
SCHEMBL24232775 0.77 KMT2A (0.69) KMT2AMEN1BLMKDM4EHTT
SCHEMBL24232996 0.77 MCL1 (0.70) KMT2AMEN1BLMKDM4EHTT
SCHEMBL24233034 0.76 KDM4E (0.57) KMT2AMEN1BLMKDM4EHTT
SCHEMBL24233015 0.75 BLM (0.77) KMT2AMEN1BLMKDM4EHTT
SCHEMBL18292328 0.73 MAPK8 (0.72) KMT2AMEN1BLMKDM4EHTT

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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