SCHEMBL23399042

SCHEMBL23399042

CCc1c(-c2cccc(C)c2)nn(C(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.48
PIK3CD O00329 4/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CG P48736 4/20 0.40
ABL1 P00519 4/20 0.40
EGFR P00533 3/20 0.40
HCK P08631 3/20 0.40
KDR P35968 3/20 0.40
PIK3CA P42336 3/20 0.40
MTOR P42345 3/20 0.40
EPHB4 P54760 3/20 0.40
PRKDC P78527 3/20 0.40
PI4KB Q9UBF8 3/20 0.40
MAPK14 Q16539 3/20 0.38
DPP4 P27487 1/20 0.36
RIPK2 O43353 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KMT2A Q03164 1/20 0.36
HEXA P06865 1/20 0.35
HEXB P07686 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
SCHEMBL23402654 0.89 SRC (0.46) SRCPIK3CDPIK3CBPIK3CGABL1
SCHEMBL23398610 0.88 SRC (0.46) SRCPIK3CDPIK3CBPIK3CGABL1
SCHEMBL23402951 0.88 SRC (0.47) SRCPIK3CDPIK3CBPIK3CGABL1
SCHEMBL23402539 0.84 KMT2A (0.42) KMT2AMAPTSMN1; SMN2
SCHEMBL23402944 0.83 SMN1; SMN2 (0.39) MAPK14DPP4RIPK2TRPM8HEXA
SCHEMBL23399288 0.83 MAPK14 (0.36) SRCMAPK14DPP4RIPK2TRPM8
SCHEMBL23400349 0.82 HTR2A (0.39) SRCPIK3CDPIK3CBPIK3CGABL1
SCHEMBL23399630 0.82 SRC (0.52) SRCPIK3CDPIK3CBPIK3CGABL1
SCHEMBL23400837 0.82 L3MBTL1 (0.39) MAPK14DPP4RIPK2TRPM8KMT2A
SCHEMBL23401299 0.80 SRC (0.50) SRCPIK3CDPIK3CBPIK3CGABL1

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