SCHEMBL6217299

SCHEMBL6217299

CSc1nc(-c2ccccc2)c2c(N)c(C(=O)NN[C@@H]3CCN(Cc4ccccc4)C3)sc2n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 8/20 0.50
▸ TSHR P16473 2/20 0.47
▸ DRD2 P14416 5/20 0.45
▸ DRD4 P21917 5/20 0.45
▸ FSHR P23945 1/20 0.44
▸ MCHR1 Q99705 1/20 0.41
▸ AKT1 P31749 2/20 0.41
▸ AKT2 P31751 2/20 0.41
▸ BRAF P15056 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL6217802 0.80 LHCGR (0.58) LHCGRTSHRFSHRBRAF
SCHEMBL6216753 0.78 LHCGR (0.55) LHCGRTSHRFSHR
SCHEMBL6215311 0.75 LHCGR (0.61) LHCGRTSHRFSHRBRAF
SCHEMBL6216455 0.74 LHCGR (0.59) LHCGRTSHRFSHR
SCHEMBL6220425 0.74 LHCGR (0.55) LHCGRTSHRFSHR
SCHEMBL6217652 0.73 LIMK1 (0.58) LHCGRTSHRBRAF
SCHEMBL6216808 0.73 LHCGR (0.64) LHCGRTSHRFSHR
SCHEMBL6215184 0.72 LHCGR (0.51) LHCGRTSHRFSHR
SCHEMBL6217408 0.72 LHCGR (0.60) LHCGRTSHR
SCHEMBL6217253 0.71 LHCGR (0.51) LHCGRTSHRFSHR

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-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 — — EP disclosed
US-6841553-B2 Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL N.V. (NL) 2005-01-11 — — US disclosed
US-6569863-B1 Luteinizing hormone (LH) agonists for controlling fertility AKZO NOBEL NV (NL) 2003-05-27 — — US disclosed
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