SCHEMBL23399644

SCHEMBL23399644

Cc1ccc(-c2nn(C(C)C)c(O)c2C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.40
ABL1 P00519 10/20 0.40
EGFR P00533 10/20 0.40
HCK P08631 10/20 0.40
SRC P12931 10/20 0.40
KDR P35968 10/20 0.40
PIK3CA P42336 10/20 0.40
PIK3CB P42338 10/20 0.40
MTOR P42345 10/20 0.40
PIK3CG P48736 10/20 0.40
EPHB4 P54760 10/20 0.40
PRKDC P78527 10/20 0.40
PI4KB Q9UBF8 10/20 0.40
RET P07949 1/20 0.38
ESR1 P03372 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KDM5A P29375 1/20 0.35
LDHA P00338 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
SCHEMBL23403569 0.85 RECQL (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL23400788 0.83 RECQL (0.42) KDM5ALDHALDHBMEN1NPC1
SCHEMBL23400796 0.83 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL23401299 0.81 SRC (0.50) PIK3CDABL1EGFRHCKSRC
SCHEMBL23399190 0.81 SRC (0.40) PIK3CDABL1EGFRHCKSRC
SCHEMBL23399456 0.81 PTGS2 (0.40) SRCKDRESR1MEN1NPC1
SCHEMBL23399758 0.80 RIPK2 (0.44) ABL1EGFRHCKSRCKDR
SCHEMBL23401575 0.80 RAB9A (0.38) ESR1KDM5AMEN1NPC1RAB9A
SCHEMBL23401036 0.79 EGFR (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL23399831 0.78 PIK3CD (0.40) 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