SCHEMBL23401299

SCHEMBL23401299

Cc1cccc(-c2nn(C(C)C)c(O)c2C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.50
ABL1 P00519 7/20 0.41
PIK3CD O00329 6/20 0.41
PIK3CB P42338 6/20 0.41
PIK3CG P48736 6/20 0.41
EGFR P00533 5/20 0.41
HCK P08631 5/20 0.41
KDR P35968 5/20 0.41
PIK3CA P42336 5/20 0.41
MTOR P42345 5/20 0.41
EPHB4 P54760 5/20 0.41
PRKDC P78527 5/20 0.41
PI4KB Q9UBF8 5/20 0.41
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
RIPK2 O43353 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL23401281 0.85 RECQL (0.41) SRCABL1LDHALDHBRIPK2
SCHEMBL23399630 0.85 SRC (0.52) SRCABL1PIK3CDPIK3CBPIK3CG
SCHEMBL23403569 0.83 RECQL (0.46) SRCABL1PIK3CDPIK3CBPIK3CG
SCHEMBL23399402 0.82 NPC1 (0.38) SRCLDHALDHBRIPK2NPC1
SCHEMBL23399653 0.82 RIPK2 (0.52) SRCABL1LDHALDHBRIPK2
SCHEMBL23400286 0.82 ALDH1A1 (0.47) SRCLDHALDHBRIPK2NPC1
SCHEMBL23399644 0.81 PIK3CD (0.40) SRCABL1PIK3CDPIK3CBPIK3CG
SCHEMBL23400978 0.81 SRC (0.49) SRCABL1PIK3CDPIK3CBPIK3CG
SCHEMBL23403497 0.81 SRC (0.49) SRCABL1PIK3CDPIK3CBPIK3CG
SCHEMBL31617380 0.81 SRC (0.51) SRCABL1PIK3CDPIK3CBPIK3CG

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