SCHEMBL30833754

SCHEMBL30833754

Cc1cnc(Cl)nc1Nc1ccccc1CN[SH](=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
IGF1R P08069 1/20 0.36
GAA P10253 1/20 0.36
AURKA O14965 1/20 0.35
YTHDC1 Q96MU7 2/20 0.35
PIN1 Q13526 2/20 0.34
KMT2A Q03164 2/20 0.34
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 1/20 0.34
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNK O75909 2/20 0.33
CCND3 P30281 2/20 0.33
CDK9 P50750 2/20 0.33
CDK6 Q00534 2/20 0.33
PDE2A O00408 1/20 0.33
PTGS2 P35354 1/20 0.33
CDK1 P06493 1/20 0.32
CLIC1 O00299 1/20 0.32
CXCL8 P10145 1/20 0.32

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
SCHEMBL30833627 0.88 BCL6 (0.39) MAPTIGF1RAURKAPIN1LRRK2
SCHEMBL30833745 0.85 AURKA (0.43) IGF1RAURKAKMT2ACDK2CDK1
SCHEMBL30833645 0.85 PIN1 (0.36) MAPTIGF1RGAAYTHDC1PIN1
SCHEMBL30833628 0.85 IGF1R (0.46) MAPTIGF1RPIN1KMT2AMEN1
SCHEMBL30833663 0.85 PIN1 (0.36) MAPTIGF1RGAAYTHDC1PIN1
SCHEMBL30833793 0.83 MAPT (0.34) MAPTGAAYTHDC1PIN1KMT2A
SCHEMBL30833638 0.82 PTK2 (0.45) IGF1RYTHDC1CDK2CDK9PTGS2
SCHEMBL30833765 0.78 PKMYT1 (0.38) MAPTIGF1RGAAAURKAYTHDC1
SCHEMBL15946706 0.77 LRRK2 (0.52) AURKALRRK2CCNA2CDK2CCNK
SCHEMBL21600781 0.76 KMT2A (0.52) MAPTIGF1RAURKAKMT2ALRRK2

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