SCHEMBL23728778

SCHEMBL23728778

COC(=O)CCNC(=O)c1cc(Nc2nc(NCCCN)cn2C)cn1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRAS P01112 8/20 0.39
ESR1 P03372 8/20 0.39
ESR2 Q92731 8/20 0.39
TOP1 P11387 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.39
P2RX3 P56373 3/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ZAP70 P43403 2/20 0.33
SYK P43405 2/20 0.33
HASPIN Q8TF76 2/20 0.33

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
SCHEMBL23728754 0.86 P2RX3 (0.42) P2RX3ZAP70SYK
Hydrochloric Acid SCHEMBL23728767 0.85 P2RX3 (0.41) KDM4EPOLBMAPTHIF1AP2RX3
SCHEMBL23728917 0.82 P2RX3 (0.34) HRASESR1ESR2TOP1KDM4E
SCHEMBL23728948 0.80 CA1 (0.39) MAPTHDAC1HDAC2HDAC8CA1
Hydrochloric Acid SCHEMBL23728962 0.79 CA1 (0.38) KDM4EPOLBMAPTHIF1AHDAC1
SCHEMBL23728909 0.77 RPS6KA3 (0.31) HDAC1HDAC2HDAC8
SCHEMBL23728782 0.76 HDAC1 (0.33) HRASESR1ESR2TOP1HDAC1
SCHEMBL23744936 0.73 HDAC1 (0.56) HRASESR1ESR2TOP1KDM4E
SCHEMBL23728785 0.72 STK17B (0.40) P2RX3
SCHEMBL23728857 0.71 STK17B (0.41)

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
EP-4384506-A1 PROCESS FOR POLYAMIDE SYNTHESIS Design Therapeutics, Inc. (US) 2024-06-19 EP disclosed
WO-2023014793-A1 PROCESS FOR POLYAMIDE SYNTHESIS Design Therapeutics, Inc. (US) 2023-02-09 WO disclosed
EP-4100404-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed