SCHEMBL8313352

SCHEMBL8313352

NC(=O)c1ccc(Nc2nccc(-c3ccc(N4CCCCC4)cc3)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.82
MAPK8 P45983 3/20 0.66
MAPK10 P53779 2/20 0.66
JAK3 P52333 8/20 0.65
HDAC1 Q13547 3/20 0.65
JAK1 P23458 3/20 0.65
TYK2 P29597 3/20 0.65
HDAC6 Q9UBN7 2/20 0.65
HDAC3 O15379 1/20 0.65
NCOR1 O75376 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
IKBKB O14920 1/20 0.61
CHUK O15111 1/20 0.61
BMPR1B O00238 1/20 0.58
PLK4 O00444 1/20 0.58
CIT O14578 1/20 0.58
GAK O14976 1/20 0.58
OPA1 O60313 1/20 0.58
ROCK2 O75116 1/20 0.58

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
SCHEMBL13590716 0.90 JAK2 (1.00) JAK2MAPK8MAPK10JAK3HDAC1
SCHEMBL2875288 0.90 JAK2 (1.00) JAK2MAPK8MAPK10JAK3HDAC1
Hydrochloric Acid SCHEMBL30221695 0.89 JAK2 (0.96) JAK2MAPK8MAPK10JAK3HDAC1
SCHEMBL4385532 0.85 JAK2 (1.00) JAK2MAPK8JAK3HDAC1JAK1
SCHEMBL4381056 0.85 JAK2 (1.00) JAK2MAPK8JAK3HDAC1JAK1
SCHEMBL8236878 0.84 JAK2 (0.66) JAK2MAPK8MAPK10JAK3HDAC1
SCHEMBL4376882 0.83 JAK2 (0.98) JAK2MAPK8JAK3HDAC1JAK1
SCHEMBL3518338 0.83 JAK2 (0.82) JAK2MAPK8MAPK10JAK3HDAC1
SCHEMBL4800404 0.81 MAPK8 (0.83) JAK2MAPK8MAPK10JAK3IKBKB
SCHEMBL8236707 0.81 JAK2 (0.78) JAK2MAPK8JAK3HDAC1JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 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
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