SCHEMBL17435129

SCHEMBL17435129

Cc1ccc(C(=O)O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL2 P60568 17/20 0.62
STIM1 Q13586 1/20 0.55
ORAI1 Q96D31 1/20 0.55
ORAI2 Q96SN7 1/20 0.55
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK14 Q16539 1/20 0.43

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
SCHEMBL5550559 0.90 IL2 (0.61) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL5554240 0.89 IL2 (0.62) IL2STIM1ORAI1ORAI2
SCHEMBL15395771 0.88 IL2 (0.65) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL7927446 0.86 IL2 (0.63) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL7932421 0.86 IL2 (0.63) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL5554192 0.85 STIM1 (0.57) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL5555347 0.84 IL2 (0.55) IL2STIM1ORAI1ORAI2
SCHEMBL5554329 0.84 IL2 (0.56) IL2STIM1ORAI1ORAI2
SCHEMBL15395847 0.82 IL2 (0.59) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL15395968 0.82 IL2 (0.59) IL2STIM1ORAI1ORAI2MEN1

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-1848435-B1 COMPOUNDS AGAINST INFLAMMATIONS AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2016-01-20 EP disclosed