SCHEMBL4460700

SCHEMBL4460700

CCc1cc(CC2(N)N=C(N)C=C(N3CCN(C)CC3)N2)on1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.36
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL4469489 0.88 IGF1R (0.38) IGF1RMMP13
SCHEMBL4462384 0.85 IGF1R (0.40) IGF1R
SCHEMBL4461041 0.81 IGF1R (0.42) IGF1R
SCHEMBL4471687 0.77 IGF1R (0.38) IGF1R
SCHEMBL4464010 0.75 IGF1R (0.40) IGF1R
SCHEMBL4469502 0.72 EPHX2 (0.33)
SCHEMBL4458966 0.69 IGF1R (0.44) IGF1R
SCHEMBL4466158 0.66 VHL (0.34)
SCHEMBL4462239 0.66 IGF1R (0.44) IGF1R
SCHEMBL4459152 0.61 IGF1R (0.43) IGF1R

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