SCHEMBL30066339

SCHEMBL30066339

CC1(C)CCc2cnn(-c3cc4ccccc4[nH]3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK14 Q16539 1/20 0.36
▸ HRH4 Q9H3N8 2/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ FGFR2 P21802 1/20 0.30
▸ FGFR4 P22455 1/20 0.30
▸ FGFR3 P22607 1/20 0.30
▸ KDR P35968 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
SCHEMBL30066459 0.80 MAPK14 (0.42) KDM4EMAPK14HRH4DHODHHRH3
SCHEMBL30801291 0.74 MAPK14 (0.36) MAPK14
Hydrochloric Acid SCHEMBL30801274 0.73 PTK6 (0.34) MAPK14
SCHEMBL30801166 0.71 SPR (0.35) HRH4
SCHEMBL5635166 0.68 CYP11B1 (0.40) KDM4EHPGDFGFR1SRCFGFR2
SCHEMBL28840867 0.58 CA12 (0.46) KDM4EALDH1A1HPGDGFERHRH4
SCHEMBL8087823 0.57 HRH3 (0.50) KDM4EALDH1A1HRH4HRH3
SCHEMBL6096901 0.57 AOC3 (0.44) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL29483196 0.57 PLK1 (0.37) —
SCHEMBL7548161 0.57 APAF1 (0.41) KDM4EALDH1A1HPGDHRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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