SCHEMBL4458966

SCHEMBL4458966

CC(C)c1cc(CC2(N)N=C(N)C=C(N3CCN[C@H](C)C3)N2)on1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.44
EPHX2 P34913 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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 0.84 IGF1R (0.40) IGF1REPHX2
SCHEMBL4464010 0.84 IGF1R (0.40) IGF1REPHX2
SCHEMBL4469451 0.76 EPHX2 (0.33) IGF1REPHX2
SCHEMBL4462239 0.72 IGF1R (0.44) IGF1R
SCHEMBL4459152 0.70 IGF1R (0.43) IGF1RTLR8TLR7
SCHEMBL4471687 0.70 IGF1R (0.38) IGF1R
SCHEMBL4469489 0.70 IGF1R (0.38) IGF1R
SCHEMBL4464502 0.70 IGF1R (0.44) IGF1R
SCHEMBL4460700 0.69 IGF1R (0.36) IGF1R
SCHEMBL4461033 0.68 EPHX2 (0.34) IGF1REPHX2

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