SCHEMBL30346294

SCHEMBL30346294

CNc1nc(SC)ncc1CNCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.41
EGFR P00533 1/20 0.39
PRKCQ Q04759 2/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.39
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PIM1 P11309 1/20 0.38
CYP2C9 P11712 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
IRAK1 P51617 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
SCHEMBL26090919 1.00 KMT2A (0.43) KMT2AMEN1EGFRPRKCQALDH1A1
SCHEMBL27265275 0.79 KDM4E (0.44) MAPTKDM4EL3MBTL1
SCHEMBL12876460 0.76 LMNA (0.47) KMT2AMEN1PRKCQMAPTPRKD3
SCHEMBL1521507 0.75 GAA (0.47) KMT2AMEN1EGFRALDH1A1MAPT
SCHEMBL6623077 0.73 LMNA (0.46) KMT2AMEN1CYP3A4CYP2C9CDK2
SCHEMBL1521601 0.72 MAPT (0.40) KMT2AMEN1PRKCQALDH1A1MAPT
SCHEMBL1521515 0.72 KMT2A (0.39) KMT2APRKCQALDH1A1MAPTPRKD3
SCHEMBL16134092 0.71 LMNA (0.40) KMT2AMEN1ALDH1A1MAPTCYP3A4
SCHEMBL26088377 0.71 HTT (0.35) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL3578831 0.71 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTCYP3A4

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