SCHEMBL4469451

SCHEMBL4469451

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
IGF1R P08069 4/20 0.32
GRM5 P41594 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
SCHEMBL4466158 0.83 VHL (0.34)
SCHEMBL4461033 0.81 EPHX2 (0.34) EPHX2IGF1RGRM5
SCHEMBL4464010 0.80 IGF1R (0.40) EPHX2IGF1R
SCHEMBL4462384 0.80 IGF1R (0.40) EPHX2IGF1R
SCHEMBL4458966 0.76 IGF1R (0.44) EPHX2IGF1R
SCHEMBL4462239 0.76 IGF1R (0.44) IGF1R
SCHEMBL4459152 0.76 IGF1R (0.43) IGF1R
SCHEMBL4464502 0.76 IGF1R (0.44) IGF1R
SCHEMBL442507 0.65 NOTUM (0.43) EPHX2IGF1RGRM5
Hydrochloric Acid SCHEMBL19555684 0.64 NOTUM (0.42) EPHX2IGF1RGRM5

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