SCHEMBL13846296

SCHEMBL13846296

N#CC1CCN(C(=O)c2ccc(Nc3nccc(-c4cnn(C(CN)C5CC5)c4)n3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.42
▸ IKBKB O14920 8/20 0.42
▸ CHUK O15111 8/20 0.42
▸ IKBKG Q9Y6K9 8/20 0.42
▸ CDK1 P06493 4/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ JAK2 O60674 3/20 0.42
▸ JAK1 P23458 3/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ SMG1 Q96Q15 1/20 0.41
▸ ROCK2 O75116 1/20 0.40

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
SCHEMBL13846266 0.96 JAK2 (0.44) SYKIKBKBCHUKIKBKGCDK2
SCHEMBL3715052 0.92 CDK2 (0.48) SYKIKBKBCHUKIKBKGCDK1
SCHEMBL13846365 0.92 JAK2 (0.43) CDK1CDK2JAK2JAK1JAK3
SCHEMBL3306129 0.89 CDK2 (0.47) CDK1CDK2JAK2JAK1JAK3
SCHEMBL3719453 0.88 JAK2 (0.46) SYKCDK2JAK2JAK1JAK3
SCHEMBL13846212 0.87 JAK2 (0.48) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3310409 0.87 CDK2 (0.51) IKBKBCDK1CDK2JAK2JAK1
SCHEMBL13846262 0.86 JAK2 (0.44) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3313253 0.85 CDK2 (0.48) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL3310492 0.85 CCNE1 (0.51) IKBKBCHUKIKBKGCDK2JAK2

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-2009064835-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-05-22 — — WO disclosed
Send feedback