SCHEMBL30833707

SCHEMBL30833707

COc1cccc(Nc2nc(Cl)ncc2Br)c1CN[SH](=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.40
CDK19 Q9BWU1 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
EGFR P00533 4/20 0.38
IGF1R P08069 4/20 0.38
ULK1 O75385 1/20 0.37
ZAP70 P43403 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LRRK2 Q5S007 1/20 0.35
NTRK1 P04629 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
INSR P06213 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL30833726 0.84 IGF1R (0.40) ALKCDK19KMT2AMEN1EGFR
SCHEMBL30833675 0.81 EGFR (0.42) ALKCDK19KMT2AMEN1EGFR
SCHEMBL2843128 0.79 ALK (0.58) ALKCDK19KMT2AMEN1EGFR
SCHEMBL30833628 0.79 IGF1R (0.46) ALKCDK19KMT2AMEN1IGF1R
SCHEMBL29190684 0.77 EGFR (0.45) ALKCDK19KMT2AMEN1EGFR
SCHEMBL29190532 0.74 EGFR (0.45) ALKCDK19KMT2AMEN1EGFR
SCHEMBL29190528 0.71 IGF1R (0.43) ALKCDK19KMT2AMEN1EGFR
SCHEMBL25056307 0.70 MEN1 (0.52) ALKCDK19KMT2AMEN1IGF1R
SCHEMBL29190641 0.69 IGF1R (0.51) ALKCDK19KMT2AMEN1EGFR
SCHEMBL6213223 0.69 ATM (0.54) KMT2AMEN1EGFRIGF1RKDM4E

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