SCHEMBL8262623

SCHEMBL8262623

C=CS/C(=N\C)c1ccc(C)c(-c2ccc(NC(=O)c3ccncc3F)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 7/20 0.46
▸ STIM1 Q13586 3/20 0.34
▸ ORAI1 Q96D31 3/20 0.34
▸ ABL1 P00519 3/20 0.32
▸ MAPK14 Q16539 4/20 0.32
▸ LCK P06239 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MAPK13 O15264 3/20 0.31
▸ MAPK12 P53778 3/20 0.31
▸ MAPK11 Q15759 3/20 0.31
▸ TRPC1 P48995 1/20 0.31
▸ TRPC3 Q13507 1/20 0.31
▸ IKBKE Q14164 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ NTRK1 P04629 1/20 0.31

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
SCHEMBL8262625 0.92 IL2 (0.44) IL2ABL1MAPK14LCKCSF1R
SCHEMBL8262099 0.89 IL2 (0.47) IL2STIM1ORAI1ABL1MAPK14
SCHEMBL8262624 0.89 IL2 (0.55) IL2STIM1ORAI1ABL1MAPK14
SCHEMBL8262993 0.86 IL2 (0.47) IL2STIM1ORAI1ABL1TRPC1
SCHEMBL8263040 0.83 IL2 (0.46) IL2STIM1ORAI1ABL1TRPC1
SCHEMBL8263043 0.82 IL2 (0.49) IL2STIM1ORAI1ABL1TRPC1
SCHEMBL8262107 0.81 IL2 (0.45) IL2ABL1MAPK14LCKCSF1R
SCHEMBL8261514 0.78 IL2 (0.42) IL2
SCHEMBL8261515 0.77 IL2 (0.55) IL2STIM1ORAI1ABL1MAPK14
SCHEMBL8261522 0.77 IL2 (0.37) IL2STIM1ORAI1ABL1CSF1R

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-2006081389-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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