SCHEMBL4471687

SCHEMBL4471687

Cc1cc(CC2(N)N=C(N)C=C(N3CCOCC3)N2)on1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.38
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 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
SCHEMBL4472354 0.88 IGF1R (0.36) IGF1R
SCHEMBL4464010 0.86 IGF1R (0.40) IGF1R
SCHEMBL4466081 0.81 DRD2 (0.41) IGF1RHPGDTSHRNPSR1KMT2A
SCHEMBL4466158 0.79 VHL (0.34) MEN1KMT2A
SCHEMBL4461041 0.72 IGF1R (0.42) IGF1RTSHRMEN1KMT2AMAPK1
SCHEMBL18942317 0.63 LMNA (0.53)
SCHEMBL4469777 0.59 CRHBP (0.36) CRHBPCRHR2HPGDTSHRNPSR1
SCHEMBL19027124 0.57 GAA (0.40) CRHBPCRHR2GAAMEN1KMT2A
SCHEMBL2914177 0.56 LGMN (0.35) CRHBPCRHR2GAAMEN1KMT2A
SCHEMBL17918652 0.54 ALDH1A1 (0.45) CRHBPCRHR2HPGDNPSR1GAA

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