SCHEMBL8170901

SCHEMBL8170901

Cc1sc2nc(N3CCC(C(=O)O)CC3)nc(NCc3ccccc3)c2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CTNNB1 P35222 12/20 0.46
TCF7L2 Q9NQB0 12/20 0.46
HRH4 Q9H3N8 2/20 0.43
HTR3A P46098 1/20 0.43
PDE5A O76074 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL8172354 0.92 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL8171027 0.91 SMN1; SMN2 (0.48) EPHX2PDE4APDE4BPDE4CPDE4D
SCHEMBL8181495 0.90 MAPT (0.48) EPHX2CTNNB1TCF7L2NPSR1HPGD
SCHEMBL8183202 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL7013850 0.89 EPHX2 (0.43) EPHX2PDE4APDE4BPDE4CPDE4D
SCHEMBL8180193 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL8185560 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8171136 0.86 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCTNNB1
SCHEMBL8170609 0.86 PDE5A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8178158 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DCTNNB1

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
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed