SCHEMBL7017474

SCHEMBL7017474

Cc1sc2nc(N3CCC(OC(=O)O)CC3)nc(NCc3cccc([N+](=O)[O-])c3)c2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
PTK2 Q05397 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
ABCB1 P08183 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 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
SCHEMBL7018546 0.93 JAK2 (0.40) JAK2JAK3PTK2HRH4ALDH1A1
SCHEMBL7009083 0.92 JAK2 (0.39) JAK2JAK3PTK2HRH4ALDH1A1
SCHEMBL8179661 0.90 RHOA (0.43) JAK2JAK3PTK2HRH4ALDH1A1
SCHEMBL7012162 0.88 ALDH1A1 (0.44) HRH4ALDH1A1KDM4ELMNAHTT
SCHEMBL7014536 0.88 JAK2 (0.40) JAK2JAK3PTK2HRH4ALDH1A1
SCHEMBL8180129 0.87 MAPT (0.45) JAK2JAK3PTK2HRH4ALDH1A1
SCHEMBL7020117 0.87 PDE5A (0.42) JAK2JAK3PTK2HRH4ALDH1A1
SCHEMBL7015852 0.86 JAK2 (0.38) JAK2JAK3PTK2HRH4LMNA
SCHEMBL7014043 0.86 RNASEL (0.41) JAK2JAK3PTK2ALDH1A1KDM4E
SCHEMBL7018879 0.85 PDE5A (0.42) JAK2JAK3PTK2HRH4ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed