SCHEMBL16472048

SCHEMBL16472048

CC1=C(c2ccc(NC(=O)c3c(F)cccc3I)nc2)CN(c2nccn2C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 3/20 0.37
▸ MET P08581 1/20 0.36
▸ GRM5 P41594 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ WNT3A P56704 1/20 0.32
▸ PORCN Q9H237 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ ROCK2 O75116 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
SCHEMBL3827390 0.94 IL2 (0.41) IL2METGRM5KDM4ENPC1
SCHEMBL8203992 0.80 IL2 (0.41) IL2GRM5KDM4ENPC1ALDH1A1
SCHEMBL613599 0.79 IL2 (0.42) IL2KDM4ENPC1ALDH1A1TP53
Hydrochloric Acid SCHEMBL616896 0.78 IL2 (0.42) IL2KDM4ENPC1ALDH1A1TP53
SCHEMBL986843 0.77 IL2 (0.41) IL2KDM4ENPC1ALDH1A1TP53
Hydrochloric Acid SCHEMBL15653854 0.77 IL2 (0.41) IL2KDM4ENPC1ALDH1A1TP53
SCHEMBL5005018 0.77 IL2 (0.41) IL2GRM5KDM4ENPC1ALDH1A1
SCHEMBL5019755 0.74 IL2 (0.40) IL2KDM4ENPC1ALDH1A1TP53
SCHEMBL16472095 0.74 IL2 (0.37) IL2GRM5KDM4ENPC1ALDH1A1
SCHEMBL3945748 0.74 IL2 (0.44) IL2KDM4ENPC1ALDH1A1TP53

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-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 — — EP disclosed
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