SCHEMBL8257603

SCHEMBL8257603

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.45
▸ STIM1 Q13586 3/20 0.37
▸ ORAI1 Q96D31 3/20 0.37
▸ ORAI2 Q96SN7 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ F10 P00742 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRPC1 P48995 1/20 0.32
▸ TRPC3 Q13507 1/20 0.32
▸ MAOB P27338 1/20 0.32

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
SCHEMBL8259736 0.91 IL2 (0.38) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL8260159 0.91 IL2 (0.55) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8257607 0.89 IL2 (0.42) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8260064 0.88 IL2 (0.46) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8261522 0.84 IL2 (0.37) IL2STIM1ORAI1ABL1NPC1
SCHEMBL8258264 0.83 IL2 (0.46) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8260165 0.83 IL2 (0.45) IL2ABL1
SCHEMBL8251749 0.80 IL2 (0.53) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL15395982 0.80 IL2 (0.55) IL2STIM1ORAI1ORAI2ABL1
SCHEMBL8260142 0.79 IL2 (0.56) 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-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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