SCHEMBL13846362

SCHEMBL13846362

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.44
▸ ATR Q13535 2/20 0.42
▸ PTK2 Q05397 3/20 0.41
▸ JAK2 O60674 2/20 0.39
▸ TYK2 P29597 2/20 0.39
▸ NTRK1 P04629 5/20 0.38
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ VNN1 O95497 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ IRAK4 Q9NWZ3 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
SCHEMBL13846297 0.96 LRRK2 (0.43) LRRK2ATRPTK2JAK2TYK2
SCHEMBL13846293 0.92 IRAK4 (0.44) LRRK2JAK2TYK2NTRK1CCNE1
SCHEMBL13846263 0.92 IRAK4 (0.44) LRRK2JAK2TYK2NTRK1CCNE1
SCHEMBL3660942 0.91 JAK2 (0.47) LRRK2ATRPTK2JAK2TYK2
SCHEMBL13846280 0.91 LRRK2 (0.44) LRRK2JAK2TYK2NTRK1TTK
SCHEMBL13846264 0.91 LRRK2 (0.42) LRRK2JAK2TYK2NTRK1TTK
SCHEMBL13846369 0.90 LRRK2 (0.46) LRRK2JAK2NTRK1CDK2
SCHEMBL13846298 0.89 LRRK2 (0.46) LRRK2JAK2TYK2NTRK1TTK
SCHEMBL3714920 0.87 JAK2 (0.48) LRRK2PTK2JAK2TYK2NTRK1
SCHEMBL3714264 0.85 JAK2 (0.47) LRRK2JAK2TYK2TTKCCNE1

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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