SCHEMBL24619657

SCHEMBL24619657

Cc1ccc2nc(C)cc(C(C)NC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
KCNH2 Q12809 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ELANE P08246 1/20 0.38
CTRB1 P17538 1/20 0.38

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
SCHEMBL24619751 0.88 GAA (0.46) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL24619192 0.81 PRMT5 (0.47) KMT2AMEN1THRBMAPTATM
SCHEMBL24482792 0.80 KMT2A (0.39) KMT2AMEN1THRBKDM4EMAPT
SCHEMBL24619284 0.78 LIPG (0.37) KMT2AMEN1THRBLIPGGAA
SCHEMBL16854241 0.74 PIK3CD (0.45) POLB
SCHEMBL8076472 0.74 LIPG (0.47) LIPG
SCHEMBL24619159 0.74 AAK1 (0.42) KMT2AMEN1L3MBTL1
SCHEMBL5111381 0.71 AAK1 (0.47) KMT2AMEN1THRBKDM4EMAPT
SCHEMBL11901319 0.71 GAA (0.41) KMT2AMEN1THRBMAPTPOLB
SCHEMBL23205455 0.70 GPR139 (0.48) KMT2AL3MBTL1POLBATMALDH1A1

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-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 WO disclosed