SCHEMBL4464010

SCHEMBL4464010

CC(C)c1cc(CC2(N)N=C(N)C=C(N3CCOCC3)N2)on1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.40
SLC5A7 Q9GZV3 1/20 0.32
EPHX2 P34913 1/20 0.30

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
SCHEMBL4462384 0.90 IGF1R (0.40) IGF1RSLC5A7EPHX2
SCHEMBL4471687 0.86 IGF1R (0.38) IGF1R
SCHEMBL4472354 0.85 IGF1R (0.36) IGF1R
SCHEMBL4458966 0.84 IGF1R (0.44) IGF1REPHX2
SCHEMBL4466081 0.81 DRD2 (0.41) IGF1REPHX2
SCHEMBL4469451 0.80 EPHX2 (0.33) IGF1REPHX2
SCHEMBL4469489 0.76 IGF1R (0.38) IGF1R
SCHEMBL4460700 0.75 IGF1R (0.36) IGF1R
SCHEMBL4462239 0.74 IGF1R (0.44) IGF1RSLC5A7
SCHEMBL4459152 0.74 IGF1R (0.43) IGF1RSLC5A7

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed