SCHEMBL5019757

SCHEMBL5019757

CC1=C(c2cnc(NC(=O)c3c(F)cccc3Cl)cn2)CN(C2=NC(C)N=N2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.42
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ ORAI2 Q96SN7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR1F P30939 1/20 0.36
▸ P2RX7 Q99572 4/20 0.36
▸ RORC P51449 4/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TYK2 P29597 1/20 0.35

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 0.94 IL2 (0.41) IL2STIM1ORAI1ORAI2P2RX7
SCHEMBL5019755 0.83 IL2 (0.40) IL2HTR1FMEN1NPC1RAB9A
SCHEMBL5019743 0.83 PTPN11 (0.33) IL2NPC1RAB9A
SCHEMBL1781037 0.82 STIM1 (0.44) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL3830406 0.81 STIM1 (0.44) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL7920820 0.80 STIM1 (0.44) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL3824488 0.80 IL2 (0.42) IL2STIM1ORAI1ORAI2L3MBTL1
Hydrochloric Acid SCHEMBL616904 0.80 STIM1 (0.44) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL4999794 0.80 IL2 (0.46) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL1781633 0.79 IL2 (0.43) IL2STIM1ORAI1ORAI2L3MBTL1

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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