SCHEMBL4465981

SCHEMBL4465981

NC1=CC(N)=NC(N)(Cc2cc(-c3ccccc3)no2)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MPO P05164 1/20 0.40
MAPT P10636 2/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL4460763 0.81 NOTUM (0.50) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4466158 0.78 VHL (0.34) MEN1KMT2A
SCHEMBL4459340 0.77 PTPN1 (0.43) DRD2DRD4DRD3
SCHEMBL4459206 0.77 PTPN1 (0.44) DRD2DRD4DRD3
SCHEMBL4469451 0.75 EPHX2 (0.33)
SCHEMBL4466081 0.71 DRD2 (0.41) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL4461287 0.69 IGF1R (0.40) NOTUMSMN1; SMN2MPOMAPTCYP11B1
SCHEMBL4464611 0.68 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL4461041 0.67 IGF1R (0.42) MEN1CYP1A2CYP2C19KMT2AMAPK1
SCHEMBL2123479 0.67 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2LMNA

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