SCHEMBL30833793

SCHEMBL30833793

C[Si](C)(C)CCc1cnc(Cl)nc1Nc1ccccc1CN[SH](=O)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
YTHDC1 Q96MU7 1/20 0.33
PIN1 Q13526 2/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
PDE2A O00408 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
SCHEMBL30833754 0.83 MAPT (0.36) MAPTYTHDC1PIN1KMT2AMEN1
SCHEMBL30833627 0.83 BCL6 (0.39) MAPTPIN1
SCHEMBL30833645 0.81 PIN1 (0.36) MAPTYTHDC1PIN1KMT2AMEN1
SCHEMBL30833745 0.81 AURKA (0.43) KMT2A
SCHEMBL30833663 0.81 PIN1 (0.36) MAPTYTHDC1PIN1KMT2AMEN1
SCHEMBL30833628 0.81 IGF1R (0.46) MAPTPIN1KMT2AMEN1
SCHEMBL29190712 0.80 GLO1 (0.46) YTHDC1PIN1
SCHEMBL30833638 0.78 PTK2 (0.45) YTHDC1
SCHEMBL2062120 0.69 ULK1 (0.43)
SCHEMBL2060756 0.69 LRRK2 (0.43) KMT2APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed