SCHEMBL30833726

SCHEMBL30833726

O=[SH](=O)NCc1c(F)cccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
ZAP70 P43403 1/20 0.34
MAPK8 P45983 3/20 0.33
EGFR P00533 2/20 0.33
CDK19 Q9BWU1 1/20 0.33
ALK Q9UM73 1/20 0.33
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AURKA O14965 2/20 0.31
GLO1 Q04760 1/20 0.30
AURKB Q96GD4 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
SCHEMBL30833707 0.84 ALK (0.40) IGF1RKMT2AMEN1ZAP70EGFR
SCHEMBL30833628 0.81 IGF1R (0.46) IGF1RKMT2AMEN1MAPK8CDK19
SCHEMBL30833652 0.80 IGF1R (0.40) IGF1RKMT2AMEN1ABL1BCR
SCHEMBL30833673 0.76 SYK (0.45) ZAP70MAPK8EGFRCDK19ALK
SCHEMBL5912776 0.76 ALDH1A1 (0.41) KMT2AMEN1ABL1BCRALDH1A1
SCHEMBL30833745 0.74 AURKA (0.43) IGF1RKMT2AMAPK8ALKMAPK9
SCHEMBL29190615 0.74 GLO1 (0.43) IGF1RKMT2AMEN1ABL1BCR
SCHEMBL22500906 0.74 ABL1 (0.47) IGF1RKMT2AMEN1ABL1BCR
SCHEMBL29389889 0.74 ABL1 (0.47) IGF1RKMT2AMEN1ABL1BCR
SCHEMBL25056307 0.70 MEN1 (0.52) IGF1RKMT2AMEN1MAPK8CDK19

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