SCHEMBL30833675

SCHEMBL30833675

COc1cccc(Nc2nc(Cl)ncc2Br)c1CS(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
ULK1 O75385 2/20 0.41
ALK Q9UM73 3/20 0.40
ZAP70 P43403 3/20 0.40
CDK19 Q9BWU1 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IGF1R P08069 1/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL30833652 0.84 IGF1R (0.40) ALKZAP70CDK19MEN1KMT2A
SCHEMBL30833707 0.81 ALK (0.40) EGFRULK1ALKZAP70CDK19
SCHEMBL2843128 0.79 ALK (0.58) EGFRULK1ALKZAP70CDK19
SCHEMBL30833796 0.79 IGF1R (0.46) EGFRALKZAP70CDK19MEN1
SCHEMBL29190684 0.79 EGFR (0.45) EGFRULK1ALKZAP70CDK19
SCHEMBL29190532 0.77 EGFR (0.45) EGFRULK1ALKZAP70CDK19
SCHEMBL31204509 0.76 MEN1 (0.38) EGFRALKCDK19MEN1KMT2A
SCHEMBL375527 0.74 IGF1R (0.50) ULK1ALKZAP70MEN1KMT2A
SCHEMBL29190528 0.73 IGF1R (0.43) EGFRULK1ALKZAP70CDK19
SCHEMBL38657160 0.71 MEN1 (0.48) EGFRULK1ALKZAP70CDK19

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