SCHEMBL24565304

SCHEMBL24565304

CCN(CCCOc1cccc(Nc2nc(Nc3ccccc3NS(C)(=O)=O)c3cc[nH]c3n2)c1)C1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.45
▸ BRD4 O60885 2/20 0.45
▸ EGFR P00533 4/20 0.44
▸ MAP4K1 Q92918 9/20 0.44
▸ PTK2 Q05397 2/20 0.43
▸ ALK Q9UM73 2/20 0.41
▸ INSR P06213 1/20 0.41
▸ NPM1 P06748 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ MAPK8 P45983 1/20 0.40

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
SCHEMBL24565257 0.89 MAP4K1 (0.52) EGFRMAP4K1ALKIGF1RMAPK8
SCHEMBL24565166 0.86 EGFR (0.55) BRD4EGFRALK
SCHEMBL24565262 0.81 MAP4K1 (0.57) MAP4K1PTK2IGF1RMAPK8
SCHEMBL24565466 0.80 ALK (0.55) EGFRALK
SCHEMBL24565252 0.77 ALK (0.41) BRD4EGFRMAP4K1PTK2ALK
SCHEMBL24565236 0.75 IGF1R (0.58) MAP4K1PTK2IGF1RMAPK8
SCHEMBL24565302 0.75 IGF1R (0.47) EGFRMAP4K1PTK2IGF1RMAPK8
SCHEMBL24565333 0.74 ALK (0.44) EGFRMAP4K1PTK2ALK
SCHEMBL24565244 0.73 IGF1R (0.59) MAP4K1PTK2IGF1RMAPK8
SCHEMBL24565269 0.72 ALK (0.60) EGFRALK

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
WO-2022139386-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-06-30 — — WO disclosed
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