SCHEMBL5019620

SCHEMBL5019620

CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(C2=NC(C)N=N2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 11/20 0.41
▸ STIM1 Q13586 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SCN9A Q15858 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ HCRTR1 O43613 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
SCHEMBL5019757 0.94 IL2 (0.42) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5019755 0.88 IL2 (0.40) IL2NPC1RAB9AMEN1KMT2A
SCHEMBL10101255 0.83 IL2 (0.44) IL2STIM1ORAI1ORAI2NPC1
Hydrochloric Acid SCHEMBL614866 0.82 IL2 (0.44) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL7928314 0.82 IL2 (0.49) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL7922608 0.81 IL2 (0.43) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5019743 0.81 PTPN11 (0.33) IL2NPC1RAB9A
Hydrochloric Acid SCHEMBL614560 0.81 IL2 (0.43) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL1782159 0.80 IL2 (0.42) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL1783793 0.80 IL2 (0.42) IL2STIM1ORAI1ORAI2NPC1

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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