SCHEMBL8316906

SCHEMBL8316906

Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.58
CDK2 P24941 10/20 0.58
EIF2AK2 P19525 6/20 0.48
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
CAMK2D Q13557 2/20 0.45
CDC7 O00311 1/20 0.42

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
SCHEMBL8324838 0.89 EIF2AK2 (0.60) CDK4CDK2EIF2AK2CAMK2D
SCHEMBL8324386 0.88 CDK2 (0.52) CDK4CDK2EIF2AK2JAK2JAK3
SCHEMBL14011226 0.87 SYK (0.51) CDK4CDK2EIF2AK2
SCHEMBL8317411 0.87 CDK2 (0.58) CDK4CDK2
SCHEMBL8316804 0.87 CDK4 (0.59) CDK4CDK2EIF2AK2JAK2JAK3
SCHEMBL8325329 0.86 CDK4 (0.50) CDK4CDK2EIF2AK2JAK2
SCHEMBL8324834 0.85 CDK4 (0.56) CDK4CDK2EIF2AK2
SCHEMBL8325838 0.84 CDK2 (0.49) CDK4CDK2EIF2AK2JAK2JAK3
SCHEMBL8323685 0.83 CDK4 (0.48) CDK4CDK2EIF2AK2
SCHEMBL8324821 0.79 CDK2 (0.44) CDK4CDK2JAK2JAK3CDC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456190-B2 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-25 US disclosed
US-7456190-B2 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-25 US disclosed
WO-2004083203-A1 COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-30 WO disclosed