SCHEMBL8055351

SCHEMBL8055351

Cc1cccc(F)c1C(=O)Nc1cnc(-n2c(C)nc3cc(-c4nnco4)ccc32)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL2 P60568 13/20 0.42
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
KAT6A Q92794 1/20 0.35
CREBBP Q92793 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
ABL1 P00519 1/20 0.34
S1PR3 Q99500 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
SCHEMBL3097793 0.96 IL2 (0.44) IL2STIM1ORAI1ORAI2KAT6A
SCHEMBL3109398 0.85 IL2 (0.41) IL2KAT6A
SCHEMBL8069094 0.81 STIM1 (0.43) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL3105832 0.80 IL2 (0.41) IL2STIM1ORAI1ORAI2JAK1
SCHEMBL3103400 0.77 RAB9A (0.45) IL2
SCHEMBL8060869 0.76 IL2 (0.41) IL2
SCHEMBL3092144 0.75 IL2 (0.46) IL2STIM1ORAI1ORAI2
SCHEMBL8062134 0.74 STIM1 (0.44) IL2STIM1ORAI1ORAI2
SCHEMBL451062 0.73 IL2 (0.62) IL2CREBBPRAF1BRAFABL1
SCHEMBL8069504 0.73 STIM1 (0.46) IL2STIM1ORAI1ORAI2ABL1

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
WO-2009038775-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-03-26 WO disclosed