SCHEMBL13846264

SCHEMBL13846264

COc1cnc(Nc2cccc(C(=O)N3CC[C@H](C#N)C3)c2)nc1-c1cnn(C(CN)C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.42
▸ JAK2 O60674 4/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ TYK2 P29597 3/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CBLB Q13191 2/20 0.39
▸ TTK P33981 1/20 0.39
▸ CCNT1 O60563 3/20 0.37
▸ CDK1 P06493 3/20 0.37
▸ CCNB1 P14635 3/20 0.37
▸ CCNA2 P20248 3/20 0.37
▸ CDK7 P50613 3/20 0.37
▸ CDK9 P50750 3/20 0.37

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
SCHEMBL13846298 0.96 LRRK2 (0.46) LRRK2JAK2CDK2TYK2JAK3
SCHEMBL3714264 0.94 JAK2 (0.47) LRRK2JAK2CDK2TYK2JAK3
SCHEMBL3711305 0.91 JAK2 (0.48) LRRK2JAK2CDK2TYK2JAK3
SCHEMBL13846362 0.91 LRRK2 (0.44) LRRK2JAK2CDK2TYK2CCNE1
SCHEMBL13846297 0.89 LRRK2 (0.43) LRRK2JAK2CDK2TYK2CCNE1
SCHEMBL13846293 0.89 IRAK4 (0.44) LRRK2JAK2CDK2TYK2CCNE1
SCHEMBL13846263 0.89 IRAK4 (0.44) LRRK2JAK2CDK2TYK2CCNE1
SCHEMBL13846280 0.89 LRRK2 (0.44) LRRK2JAK2CDK2TYK2JAK3
SCHEMBL3660942 0.88 JAK2 (0.47) LRRK2JAK2CDK2TYK2JAK3
SCHEMBL13846369 0.87 LRRK2 (0.46) LRRK2JAK2CDK2CCNT1CDK1

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
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