SCHEMBL4464333

SCHEMBL4464333

CC(C)c1cc(C2(N)C=C(OC3CCCN(C)C3)N=C(N)N2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.40
KDM5A P29375 3/20 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
SCHEMBL4462837 0.79 IGF1R (0.39) IGF1RKDM5A
SCHEMBL4459043 0.73 IGF1R (0.34) IGF1R
SCHEMBL4460989 0.59 FGFR2 (0.34) IGF1R
SCHEMBL3535759 0.57 HRH3 (0.46)
SCHEMBL14484041 0.57 HRH3 (0.46)
SCHEMBL31080045 0.57 IGF1R (0.57) IGF1RKDM5A
SCHEMBL31080426 0.57 IGF1R (0.57) IGF1RKDM5A
SCHEMBL25897972 0.57 HTT (0.46)
SCHEMBL30299324 0.57 HTT (0.39)
SCHEMBL13452625 0.56 ALDH1A1 (0.49)

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