SCHEMBL29015705

SCHEMBL29015705

Cn1cnc2nc(Cl)nc(Nc3cccc4ccn(S(C)(=O)=O)c34)c21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 2/20 0.33
CDK1 P06493 1/20 0.32
LCK P06239 1/20 0.31
KMT2A Q03164 1/20 0.31
ALK Q9UM73 1/20 0.31
TNNI3K Q59H18 1/20 0.31
PKM P14618 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL30424513 1.00 YTHDC1 (0.33) YTHDC1CDK1LCKKMT2AALK
SCHEMBL30425567 0.86 YTHDC1 (0.49) YTHDC1CDK1
SCHEMBL29015694 0.86 YTHDC1 (0.49) YTHDC1CDK1
SCHEMBL30426111 0.79 ALK (0.45) ALK
SCHEMBL27238032 0.79 ALK (0.45) ALK
SCHEMBL29015706 0.78 ALK (0.35) LCKKMT2AALKPKM
SCHEMBL30872014 0.78 ALK (0.35) LCKKMT2AALKPKM
SCHEMBL30425415 0.78 TNNI3K (0.35) YTHDC1ALKTNNI3KPKM
SCHEMBL29015755 0.78 TNNI3K (0.35) YTHDC1ALKTNNI3KPKM
SCHEMBL30872003 0.78 GLO1 (0.43) KMT2AALK

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-116249690-A Indoline compounds and derivatives as EGFR inhibitors 百济神州有限公司 2023-06-09 CN disclosed