SCHEMBL22324681

SCHEMBL22324681

Cc1ccc(S(=O)(=O)n2cc(-c3cccc(Cl)c3)c3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.47
▸ MAP3K11 Q16584 3/20 0.42
▸ MAP3K9 P80192 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ IDO2 Q6ZQW0 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL12067531 0.86 PTPN11 (0.45) PTPN11MAP3K11TBK1TP53MAPT
SCHEMBL7515012 0.86 MAP3K11 (0.55) PTPN11MAP3K11MAP3K9MAPK1TBK1
SCHEMBL22336909 0.83 MAP3K11 (0.45) MAP3K11MAP3K9MAPK1TBK1TP53
SCHEMBL15557744 0.83 RET (0.42) PTPN11MAPK1ADORA2AMEN1KMT2A
SCHEMBL15556013 0.82 MAPK1 (0.44) PTPN11MAPK1TP53MAPTADORA2A
SCHEMBL31396541 0.81 PTPN11 (0.47) PTPN11MAP3K11MAP3K9TP53MAPT
SCHEMBL17273313 0.80 MEN1 (0.46) PTPN11MAPK1TP53MAPTMEN1
SCHEMBL18860612 0.80 MAPK1 (0.67) MAPK1ADORA2AMEN1KMT2AGPR119
SCHEMBL15557891 0.79 MEN1 (0.45) PTPN11MAPK1TP53MAPTMEN1
SCHEMBL17273434 0.78 RET (0.44) PTPN11MEN1KMT2AGPR119ALDH1A1

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-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — WO disclosed
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