SCHEMBL13846284

SCHEMBL13846284

COc1cnc(Nc2cccc(C(=O)NCc3cc(C)on3)c2)nc1-c1cnn(C(CN)C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.39
▸ JAK2 O60674 10/20 0.38
▸ FLT3 P36888 7/20 0.38
▸ JAK3 P52333 6/20 0.38
▸ TYK2 P29597 6/20 0.38
▸ JAK1 P23458 5/20 0.38
▸ PAK1 Q13153 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ ABL1 P00519 3/20 0.36
▸ EGFR P00533 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ BCR P11274 1/20 0.36

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
SCHEMBL3712026 0.92 JAK2 (0.47) ROCK2CSNK2A1JAK2FLT3JAK3
SCHEMBL13846268 0.84 IGF1R (0.45) ROCK2JAK2JAK3CDK2PTK2
SCHEMBL13846293 0.82 IRAK4 (0.44) JAK2TYK2CCNE1CDK2
SCHEMBL13846263 0.82 IRAK4 (0.44) JAK2TYK2CCNE1CDK2
SCHEMBL13846369 0.82 LRRK2 (0.46) JAK2CDK2
SCHEMBL13846297 0.81 LRRK2 (0.43) JAK2TYK2PAK1CCNE1CDK2
SCHEMBL13846277 0.81 JAK2 (0.43) JAK2FLT3JAK3TYK2JAK1
SCHEMBL13846280 0.81 LRRK2 (0.44) JAK2JAK3TYK2JAK1CCNE1
SCHEMBL13846362 0.80 LRRK2 (0.44) JAK2TYK2CCNE1CDK2PTK2
SCHEMBL13846298 0.79 LRRK2 (0.46) JAK2JAK3TYK2JAK1PAK1

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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