SCHEMBL30833745

SCHEMBL30833745

O=[SH](=O)NCc1ccccc1Nc1nc(Cl)ncc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.43
GLO1 Q04760 2/20 0.41
AURKB Q96GD4 6/20 0.39
JAK2 O60674 3/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK8 P45983 3/20 0.38
CDC7 O00311 1/20 0.38
ALK Q9UM73 1/20 0.38
BCL6 P41182 1/20 0.37
IGF1R P08069 2/20 0.36
KMT2A Q03164 1/20 0.36
PLK4 O00444 1/20 0.35
PDPK1 O15530 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
NTRK1 P04629 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35

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) AURKAMAPK8ALKBCL6IGF1R
SCHEMBL30833628 0.85 IGF1R (0.46) MAPK8ALKIGF1RKMT2ANTRK1
SCHEMBL30833663 0.85 PIN1 (0.36) IGF1RKMT2ACDK1PTK2
SCHEMBL30833645 0.85 PIN1 (0.36) IGF1RKMT2ACDK1PTK2
SCHEMBL30833754 0.85 MAPT (0.36) AURKAIGF1RKMT2ACDK1CDK2
SCHEMBL30833638 0.85 PTK2 (0.45) JAK2CDC7IGF1RMAP4K4NTRK1
SCHEMBL30833793 0.81 MAPT (0.34) KMT2A
SCHEMBL30833659 0.78 AURKA (0.48) AURKAGLO1AURKBJAK2ALDH1A1
SCHEMBL15492039 0.76 AURKA (0.68) AURKAGLO1AURKBJAK2ALDH1A1
SCHEMBL30833726 0.74 IGF1R (0.40) AURKAGLO1AURKBALDH1A1L3MBTL1

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