SCHEMBL1727185

SCHEMBL1727185

Cn1c(CC2CCCCC2)nc2cc(C(N)=O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.55
▸ JAK1 P23458 11/20 0.55
▸ TYK2 P29597 11/20 0.55
▸ JAK3 P52333 11/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HTR6 P50406 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL15019951 0.88 L3MBTL1 (0.56) HDAC6L3MBTL1NPC1ALDH1A1LMNA
SCHEMBL20454715 0.85 RORC (0.48) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL15020122 0.85 KDM4E (0.49) HDAC6NPC1ALDH1A1LMNATSHR
SCHEMBL18432868 0.82 BACE1 (0.47) JAK2JAK1TYK2JAK3HTR6
SCHEMBL27476706 0.80 L3MBTL1 (0.49) L3MBTL1
SCHEMBL1726928 0.75 JAK2 (0.60) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL1726103 0.73 JAK2 (0.58) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL3727866 0.72 KMT2A (0.67) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL19437535 0.72 KMT2A (0.55) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL3399930 0.72 HDAC6 (0.50) HDAC6KMT2ANPC1ALDH1A1LMNA

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-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 — — EP disclosed
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