SCHEMBL4462837

SCHEMBL4462837

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.39
KDM5A P29375 6/20 0.33
HTT P42858 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30
KDR P35968 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
SCHEMBL4464333 0.79 IGF1R (0.40) IGF1RKDM5A
SCHEMBL4460989 0.73 FGFR2 (0.34) IGF1R
SCHEMBL30299324 0.60 HTT (0.39) HTTCHRM2CHRM4CHRM5CHRM1
SCHEMBL3535759 0.58 HRH3 (0.46) HTTCHRM2CHRM4CHRM5CHRM1
SCHEMBL14484041 0.58 HRH3 (0.46) HTTCHRM2CHRM4CHRM5CHRM1
SCHEMBL31080045 0.58 IGF1R (0.57) IGF1RKDM5A
SCHEMBL31080426 0.58 IGF1R (0.57) IGF1RKDM5A
SCHEMBL25897972 0.58 HTT (0.46) HTTCHRM2CHRM4CHRM5CHRM1
SCHEMBL13452625 0.57 ALDH1A1 (0.49) HTTCHRM2CHRM4CHRM5CHRM1
SCHEMBL3538827 0.57 PARP1 (0.47) HTTCHRM2CHRM4CHRM5CHRM1

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