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SCHEMBL9368674

SCHEMBL9368674

CN(CCCCCCN(C)c1nc(NCCCCC2CC(C)(C)N(C)C(C)(C)C2)nc(NCCCCC2CC(C)(C)N(C)C(C)(C)C2)n1)c1nc(NCCCCC2CC(C)(C)N(C)C(C)(C)C2)nc(NCCCCC2CC(C)(C)N(C)C(C)(C)C2)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.35
▸ ESR2 Q92731 9/20 0.35
▸ FLT3 P36888 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ GAS6 Q14393 1/20 0.32

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
SCHEMBL9373101 0.88 FLT3 (0.37) FLT3TYRO3MERTKGAS6
SCHEMBL9645849 0.86 FLT3 (0.35) ESR1ESR2FLT3TYRO3MERTK
SCHEMBL4280278 0.85 SMN1; SMN2 (0.33) FLT3TYRO3MERTKGAS6
SCHEMBL9667734 0.82 SMN1; SMN2 (0.33) ESR1ESR2
SCHEMBL11255263 0.82 FLT3 (0.34) FLT3TYRO3MERTKGAS6
SCHEMBL3141095 0.82 KMT2A (0.45) FLT3TYRO3MERTKGAS6
SCHEMBL7673529 0.81 — —
SCHEMBL714018 0.80 KMT2A (0.43) FLT3TYRO3MERTKGAS6
SCHEMBL4049676 0.80 SMN1; SMN2 (0.31) —
SCHEMBL698650 0.78 KMT2A (0.40) FLT3TYRO3MERTKGAS6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319480-B1 Process for the methylation of triazine compounds containing 2,2,6,6-tetramethylpiperidine groups CIBA GEIGY AG (CH) 1994-01-26 — — EP disclosed
US-5130429-A Methylation with formaldehyde in a solvent and distillation CIBA-GEIGY CORPORATION (US) 1992-07-14 — — US disclosed
EP-0319480-A2 Process for the methylation of triazine compounds containing 2,2,6,6-tetramethylpiperidine groups CIBA-GEIGY AG (CH) 1989-06-07 — — EP disclosed