SCHEMBL23402105

SCHEMBL23402105

Cc1ccc(-c2nn(C(C)C)c(CC(C)C)c2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.39
ABL1 P00519 11/20 0.39
EGFR P00533 11/20 0.39
HCK P08631 11/20 0.39
SRC P12931 11/20 0.39
KDR P35968 11/20 0.39
PIK3CA P42336 11/20 0.39
PIK3CB P42338 11/20 0.39
MTOR P42345 11/20 0.39
PIK3CG P48736 11/20 0.39
EPHB4 P54760 11/20 0.39
PRKDC P78527 11/20 0.39
PI4KB Q9UBF8 11/20 0.39
RET P07949 1/20 0.38
ESR1 P03372 1/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL23400785 0.87 PIK3CD (0.40) PIK3CDABL1EGFRHCKSRC
SCHEMBL23398910 0.87 KMT2A (0.40) PIK3CDABL1EGFRHCKSRC
SCHEMBL23400277 0.82 FYN (0.39) EGFRHTR2BMEN1NPC1RAB9A
SCHEMBL23400960 0.82 SRC (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL23403127 0.81 ESR1 (0.39) SRCKDRESR1HTR2BMEN1
SCHEMBL23402815 0.81 RET (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL23403531 0.80 RIPK2 (0.44) ABL1EGFRHCKSRCKDR
SCHEMBL23399831 0.80 PIK3CD (0.40) PIK3CDABL1EGFRHCKSRC
SCHEMBL23401511 0.79 DPP4 (0.36) RETHTR2BHTR2AHTR2CMEN1
SCHEMBL23401165 0.78 HTR2A (0.47) PIK3CDABL1EGFRHCKSRC

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