SCHEMBL19207937

SCHEMBL19207937

[2H]C([2H])([2H])N1C(=O)CCCc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.43
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
AVPR1A P37288 1/20 0.37
CYP11B2 P19099 3/20 0.36
CYP11B1 P15538 2/20 0.36
CAMK2A Q9UQM7 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL31347608 0.91 SRD5A1 (0.51) SRD5A1HDAC1HDAC8HDAC6CYP11B2
SCHEMBL30832131 0.89 BMPR1B (0.49) SRD5A1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL19224681 0.89 BMPR1B (0.49) SRD5A1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL265640 0.79 SRD5A1 (0.59) SRD5A1HDAC1HDAC8HDAC6CYP11B2
SCHEMBL19207557 0.78 ROCK1 (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL31559514 0.78 SRD5A1 (0.48) SRD5A1HDAC1HDAC8HDAC6CYP1A2
SCHEMBL30832142 0.76 SRD5A1 (0.46) SRD5A1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL22290609 0.76 SRD5A1 (0.46) SRD5A1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL21173084 0.75 SRD5A1 (0.48) SRD5A1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL21042109 0.74 HDAC1 (0.39) SRD5A1BMPR1BBMPR1ATGFBR1ACVRL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 CN disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 CN disclosed
EP-3414239-A2 INHIBITORS OF RECEPTOR-INTERACTING PROTEIN KINASE 1 Denali Therapeutics Inc. (US) 2018-12-19 EP disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed