SCHEMBL26573670

SCHEMBL26573670

COc1nccc(NC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KCNH3 Q9ULD8 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ EGFR P00533 2/20 0.36
▸ ROCK1 Q13464 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
SCHEMBL26548758 0.86 MAP4K1 (0.37) MAPK8LMNAMAPTMEN1KMT2A
SCHEMBL26536562 0.79 MAP4K1 (0.32) MAPK8LMNAMAPTMEN1KMT2A
SCHEMBL1154553 0.79 CYP1A2 (0.51) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL4537708 0.77 FDPS (0.44) FLT3MAPK8HCAR3FDPS
SCHEMBL7987681 0.77 HRH3 (0.40) FLT3MAPK8LMNA
SCHEMBL16244502 0.77 ROCK1 (0.40) LMNAMAPTL3MBTL1MEN1KMT2A
SCHEMBL21017395 0.76 ALDH1A1 (0.37) FLT3MAPK8PIM1LMNAMAPT
SCHEMBL15357779 0.75 FLT3 (0.41) FLT3MAPK8TRPM8MAPK10MAPK14
SCHEMBL2844731 0.75 ABL1 (0.52) FLT3MAPK8PIM1MAPTMEN1
SCHEMBL26548519 0.74 CCR1 (0.52) KCNH3MAPK10MAPK14CCR1CCR5

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-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 — — WO disclosed
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