SCHEMBL4467729

SCHEMBL4467729

Cc1cc(CC2(N)N=C(N)C=C(OCCN3CCCC3)N2)on1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.42
HRH3 Q9Y5N1 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
EHMT2 Q96KQ7 2/20 0.31
EHMT1 Q9H9B1 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
SPIN1 Q9Y657 1/20 0.31
SIGMAR1 Q99720 4/20 0.31
KDM4E B2RXH2 1/20 0.31
LTA4H P09960 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL4459152 0.88 IGF1R (0.43) IGF1RHRH3SMN1; SMN2KDM4E
SCHEMBL4464502 0.87 IGF1R (0.44) IGF1RHRH3SMN1; SMN2KDM4E
SCHEMBL4459206 0.83 PTPN1 (0.44) IGF1R
SCHEMBL4458522 0.81 IGF1R (0.45) IGF1RHRH3SIGMAR1
SCHEMBL4466158 0.75 VHL (0.34)
SCHEMBL4471687 0.72 IGF1R (0.38) IGF1RKDM4E
SCHEMBL4462239 0.67 IGF1R (0.44) IGF1R
SCHEMBL1789469 0.62 IGF1R (0.45) IGF1RHRH3
SCHEMBL31010287 0.61 HRH3 (0.54) HRH3SMN1; SMN2SIGMAR1
SCHEMBL4464010 0.60 IGF1R (0.40) 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 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