SCHEMBL8308246

SCHEMBL8308246

O=C(CN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.55
▸ JAK2 O60674 16/20 0.54
▸ JAK3 P52333 10/20 0.54
▸ JAK1 P23458 6/20 0.54
▸ TYK2 P29597 4/20 0.54
▸ HDAC1 Q13547 3/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ NCOR1 O75376 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ SMG1 Q96Q15 1/20 0.52
▸ PLK4 O00444 2/20 0.51
▸ BMPR1B O00238 1/20 0.51
▸ CIT O14578 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ OPA1 O60313 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ STK16 O75716 1/20 0.51
▸ PRKD3 O94806 1/20 0.51

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
SCHEMBL14063781 0.92 SYK (0.53) SYKJAK2JAK3SMG1CDK2
SCHEMBL14021223 0.91 JAK2 (0.64) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL8312552 0.89 JAK2 (0.60) SYKJAK2JAK3JAK1TYK2
SCHEMBL14021308 0.89 JAK2 (0.55) SYKJAK2JAK3JAK1TYK2
SCHEMBL4392408 0.87 PIK3CA (0.51) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL14063782 0.87 JAK2 (0.52) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL13590765 0.87 JAK2 (0.51) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL14021327 0.85 JAK2 (0.49) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL8312171 0.85 IKBKB (0.54) SYKJAK2JAK3JAK1TYK2
SCHEMBL14021080 0.85 PIK3CA (0.52) JAK2JAK3JAK1TYK2HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 — — WO disclosed
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