SCHEMBL4461287

SCHEMBL4461287

NC1=NC(N)(Cc2cc(-c3ccccc3)no2)NC2=C1CCN(Cc1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.40
NOTUM Q6P988 2/20 0.37
DRD2 P14416 6/20 0.37
DRD4 P21917 6/20 0.37
DRD3 P35462 6/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHFR P00374 1/20 0.34
MPO P05164 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL4465981 0.69 NOTUM (0.49) NOTUMDRD2DRD4DRD3MEN1
SCHEMBL7650321 0.67 PRMT5 (0.53) NOTUMDRD2DRD4DRD3MEN1
SCHEMBL4459340 0.66 PTPN1 (0.43) IGF1RDRD2DRD4DRD3
SCHEMBL4460763 0.66 NOTUM (0.50) NOTUMDRD2DRD4DRD3MEN1
SCHEMBL6767528 0.66 DRD2 (0.69) DRD2DRD4DRD3
SCHEMBL4459206 0.66 PTPN1 (0.44) IGF1RDRD2DRD4DRD3
SCHEMBL6767690 0.65 DRD2 (0.74) DRD2DRD4DRD3
SCHEMBL4307364 0.63 NOTUM (0.56) NOTUMDRD2DRD4DRD3MAPT
SCHEMBL4665512 0.62 PRMT5 (0.52) NOTUMMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12420831 0.61 SMN1; SMN2 (0.53) NOTUMDRD2DRD4DRD3MEN1

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 claimed