SCHEMBL8178702

SCHEMBL8178702

CCOC(=O)C1CCN(c2nc(NCc3ccccc3)c3cc(C(F)(F)F)sc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 13/20 0.45
TCF7L2 Q9NQB0 13/20 0.45
MAPT P10636 1/20 0.43
PTPN11 Q06124 1/20 0.43
PDE5A O76074 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 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
SCHEMBL8170085 0.93 CTNNB1 (0.48) CTNNB1TCF7L2HRH4ALDH1A1
SCHEMBL8179602 0.90 CTNNB1 (0.48) CTNNB1TCF7L2MAPTPTPN11PDE5A
SCHEMBL8184409 0.90 PDE4A (0.47) CTNNB1TCF7L2MAPTPDE5AHRH4
SCHEMBL8179254 0.89 ICAM1 (0.48) CTNNB1TCF7L2MAPTPTPN11PDE5A
SCHEMBL8171286 0.89 KDM4E (0.48) CTNNB1TCF7L2MAPTPDE5AALDH1A1
SCHEMBL8181963 0.89 MET (0.44) MAPTTSHRKMT2AEPHX2
SCHEMBL7018883 0.89 CTNNB1 (0.42) CTNNB1TCF7L2PDE5AHRH4
SCHEMBL8180828 0.88 MAPT (0.48) CTNNB1TCF7L2MAPTPTPN11PDE5A
SCHEMBL8169893 0.88 ALDH1A1 (0.47) CTNNB1TCF7L2PDE5AALDH1A1TSHR
SCHEMBL8179892 0.87 PDE4A (0.49) CTNNB1TCF7L2MAPTPDE5AALDH1A1

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