SCHEMBL8258483

SCHEMBL8258483

C=C/C=C(\SC)c1ccc(C)c(-c2cnc(NC(=O)c3ccncc3F)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 11/20 0.55
▸ STIM1 Q13586 2/20 0.36
▸ ORAI1 Q96D31 2/20 0.36
▸ ABL1 P00519 3/20 0.35
▸ ORAI2 Q96SN7 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CRACR2A Q9BSW2 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
SCHEMBL8258486 0.92 IL2 (0.46) IL2ABL1
SCHEMBL8258543 0.87 IL2 (0.50) IL2STIM1ORAI1ABL1ORAI2
SCHEMBL8260163 0.87 IL2 (0.56) IL2STIM1ORAI1ABL1ORAI2
SCHEMBL8256460 0.87 IL2 (0.56) IL2STIM1ORAI1ABL1ORAI2
SCHEMBL8263040 0.83 IL2 (0.46) IL2STIM1ORAI1ABL1CRACR2A
SCHEMBL5555307 0.83 IL2 (0.63) IL2STIM1ORAI1ABL1ORAI2
SCHEMBL8260142 0.82 IL2 (0.56) IL2STIM1ORAI1ABL1ORAI2
SCHEMBL5554263 0.82 IL2 (0.62) IL2STIM1ORAI1ABL1
SCHEMBL8260159 0.81 IL2 (0.55) IL2STIM1ORAI1ABL1ORAI2
SCHEMBL15395972 0.81 IL2 (0.67) IL2ABL1NPC1RAB9A

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-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
Send feedback