SCHEMBL23399101

SCHEMBL23399101

Cc1ccc(-c2nn(C(C)(C)C)c(-c3cccc(C)c3)c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.49
SRC P12931 4/20 0.45
ABL1 P00519 3/20 0.45
HPGD P15428 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
PLK4 O00444 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
YES1 P07947 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 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
SCHEMBL23399178 0.93 RIPK2 (0.50) RIPK2SRCABL1HPGDALDH1A1
SCHEMBL23402906 0.87 TDP1 (0.46) RIPK2SRCABL1HPGDALDH1A1
SCHEMBL23398496 0.87 TDP1 (0.46) RIPK2SRCABL1HPGDALDH1A1
SCHEMBL23400071 0.87 RIPK2 (0.47) RIPK2SRCABL1HPGDALDH1A1
SCHEMBL23399849 0.84 RIPK2 (0.48) RIPK2SRCABL1HPGDALDH1A1
SCHEMBL23403201 0.83 TGFBR1 (0.42) HPGDLMNAAURKBL3MBTL1MEN1
SCHEMBL23401135 0.81 RIPK2 (0.43) RIPK2SRCABL1HPGDALDH1A1
SCHEMBL23401296 0.81 RIPK2 (0.45) RIPK2SRCABL1HPGDALDH1A1
SCHEMBL31617440 0.80 RIPK2 (0.56) RIPK2SRCABL1HPGDALDH1A1
SCHEMBL23399208 0.80 KMT2A (0.50) SRCHPGDALDH1A1KDM4ELMNA

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed