SCHEMBL4459206

SCHEMBL4459206

NC1=NC(N)(Cc2cc(-c3ccccc3)no2)NC(OCCN2CCCCC2)=C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.44
IGF1R P08069 3/20 0.44
DRD2 P14416 6/20 0.40
DRD4 P21917 6/20 0.40
DRD3 P35462 6/20 0.40
CXCR1 P25024 2/20 0.40
F2R P25116 1/20 0.40
BACE1 P56817 1/20 0.39
ACP1 P24666 1/20 0.38

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
SCHEMBL4459340 0.99 PTPN1 (0.43) PTPN1IGF1RDRD2DRD4DRD3
SCHEMBL4467729 0.83 IGF1R (0.42) IGF1R
SCHEMBL4464502 0.82 IGF1R (0.44) IGF1R
SCHEMBL4459152 0.81 IGF1R (0.43) IGF1R
SCHEMBL4465981 0.77 NOTUM (0.49) DRD2DRD4DRD3
SCHEMBL4461468 0.69 PTPN1 (0.47) PTPN1IGF1RDRD2DRD4DRD3
SCHEMBL4460763 0.69 NOTUM (0.50) DRD2DRD4DRD3
SCHEMBL21121935 0.67 CXCR1 (0.79) PTPN1CXCR1
SCHEMBL21121342 0.67 CXCR1 (0.79) PTPN1CXCR1
SCHEMBL4466081 0.66 DRD2 (0.41) IGF1RDRD2DRD4DRD3

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