SCHEMBL5019755

SCHEMBL5019755

CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)nc2)CN(C2=NC(C)N=N2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.40
▸ SCN9A Q15858 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 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
SCHEMBL5019620 0.88 IL2 (0.41) IL2SCN9AMEN1KMT2ANPC1
SCHEMBL5019757 0.83 IL2 (0.42) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL613599 0.81 IL2 (0.42) IL2MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL616896 0.80 IL2 (0.42) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL986843 0.79 IL2 (0.41) IL2SCN9AMEN1KMT2ANPC1
SCHEMBL3827390 0.79 IL2 (0.41) IL2SCN9AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL15653854 0.79 IL2 (0.41) IL2SCN9AMEN1KMT2ANPC1
SCHEMBL5005018 0.79 IL2 (0.41) IL2SCN9AMEN1KMT2ANPC1
SCHEMBL8203992 0.79 IL2 (0.41) IL2SCN9AMEN1KMT2ANPC1
SCHEMBL3945748 0.78 IL2 (0.44) IL2SCN9AMEN1KMT2ANPC1

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-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 — — WO disclosed
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