SCHEMBL8258264

SCHEMBL8258264

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.46
▸ STIM1 Q13586 2/20 0.38
▸ ORAI1 Q96D31 2/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ ABCB1 P08183 2/20 0.34
▸ ABCC1 P33527 1/20 0.34
▸ F10 P00742 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 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
SCHEMBL8256460 0.91 IL2 (0.56) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8260146 0.91 IL2 (0.39) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL8256955 0.89 IL2 (0.44) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8260064 0.88 IL2 (0.46) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8257603 0.83 IL2 (0.45) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8263042 0.83 IL2 (0.40) IL2STIM1ORAI1ABL1CSNK1D
SCHEMBL8259823 0.82 IL2 (0.46) IL2ABL1ABCB1ABCC1
SCHEMBL15395982 0.81 IL2 (0.55) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8260142 0.79 IL2 (0.56) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8251756 0.79 IL2 (0.39) IL2STIM1ORAI1ORAI2NPC1

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