SCHEMBL23728754

SCHEMBL23728754

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.42
ZAP70 P43403 2/20 0.35
SYK P43405 2/20 0.35
AURKA O14965 1/20 0.33
CDK1 P06493 1/20 0.33
AURKB Q96GD4 1/20 0.33
CREBBP Q92793 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MC4R P32245 2/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
Hydrochloric Acid SCHEMBL23728767 0.99 P2RX3 (0.41) P2RX3ZAP70SYKAURKACDK1
SCHEMBL23728917 0.87 P2RX3 (0.34) P2RX3
SCHEMBL23728778 0.86 HRAS (0.39) P2RX3ZAP70SYK
SCHEMBL23728785 0.83 STK17B (0.40) P2RX3
SCHEMBL23728909 0.76 RPS6KA3 (0.31)
SCHEMBL23728782 0.74 HDAC1 (0.33)
SCHEMBL23728857 0.74 STK17B (0.41) MEN1KMT2APIM2MC4R
SCHEMBL28984155 0.69 P2RX3 (0.44) P2RX3AURKACDK1AURKBCYP1A2
SCHEMBL23728829 0.69 RPS6KA3 (0.39) CREBBPCYP1A2CYP2C19MEN1ALDH1A1
SCHEMBL23728718 0.67 HDAC1 (0.49)

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