SCHEMBL26091092

SCHEMBL26091092

Cn1nccc1NCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MAPK1 P28482 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 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
SCHEMBL5849567 0.76 POLB (0.56) POLBMAPK1HSP90AA1HSP90AB1KMT2A
SCHEMBL9601697 0.76 OXTR (0.40) POLBHSP90AA1HSP90AB1KMT2AL3MBTL1
SCHEMBL22957177 0.75 OXTR (0.38) POLBHSP90AA1HSP90AB1KMT2ARAB9A
SCHEMBL4036017 0.75 OXTR (0.38) POLBHSP90AA1HSP90AB1KMT2AL3MBTL1
SCHEMBL1520499 0.74 L3MBTL1 (0.61) MAPK1KMT2AALDH1A1HSD17B10L3MBTL1
SCHEMBL27625405 0.74 CYP1A2 (0.44) KMT2AKDM4EL3MBTL1KDM4CRAB9A
SCHEMBL3268236 0.73 KMT2A (0.57) POLBMAPK1HSP90AA1HSP90AB1KMT2A
SCHEMBL6413770 0.72
SCHEMBL21383369 0.71 KMT2A (0.55) POLBHSP90AA1HSP90AB1KMT2AKDM4E
SCHEMBL4032778 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118891261-A Covalent EGFR inhibitors and methods of use thereof 丹娜-法伯癌症研究院 2024-11-01 CN disclosed
EP-4419529-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-08-28 EP disclosed
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 WO disclosed