SCHEMBL13846277

SCHEMBL13846277

COc1cnc(Nc2cccc(N)c2)nc1-c1cnn(C(CN)C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.43
▸ JAK1 P23458 4/20 0.43
▸ TYK2 P29597 4/20 0.43
▸ JAK3 P52333 4/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ KDR P35968 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CDK5 Q00535 3/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ MAP3K5 Q99683 1/20 0.40
▸ CCNT1 O60563 2/20 0.39
▸ CCNB2 O95067 2/20 0.39
▸ CCNE2 O96020 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDK5R1 Q15078 2/20 0.39

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
SCHEMBL3658655 0.90 JAK2 (0.56) JAK2JAK1TYK2JAK3ABL1
SCHEMBL13846220 0.88 CDK2 (0.53) JAK2JAK1TYK2JAK3ABL1
SCHEMBL13846270 0.87 PRKCQ (0.43) JAK2JAK1TYK2JAK3ABL1
SCHEMBL13846293 0.85 IRAK4 (0.44) JAK2TYK2CCNE1CDK2CCNT1
SCHEMBL13846263 0.85 IRAK4 (0.44) JAK2TYK2CCNE1CDK2CCNT1
SCHEMBL13846297 0.84 LRRK2 (0.43) JAK2TYK2CCNE1CDK2CCNT1
SCHEMBL13846291 0.84 FFAR1 (0.39) JAK2JAK1TYK2JAK3ABL1
SCHEMBL13846369 0.84 LRRK2 (0.46) JAK2CDK2CCNT1CDK1CCNB1
SCHEMBL13846280 0.84 LRRK2 (0.44) JAK2JAK1TYK2JAK3ABL1
SCHEMBL13846362 0.83 LRRK2 (0.44) JAK2TYK2CCNE1CDK2TTK

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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