SCHEMBL11200448

SCHEMBL11200448

CNc1nc(Cl)nc2scc(C(C)C)c12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.60
ELANE P08246 2/20 0.39
XDH P47989 1/20 0.33
YTHDC1 Q96MU7 2/20 0.33
PDE2A O00408 1/20 0.33
TGM2 P21980 1/20 0.30

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
SCHEMBL11200698 0.79 ESR1 (0.57) ESR1ELANEXDHYTHDC1PDE2A
SCHEMBL11202279 0.78 ESR1 (0.49) ESR1ELANE
SCHEMBL11204580 0.66 PRKCI (0.41) ESR1XDHYTHDC1PDE2A
SCHEMBL16293255 0.64 ESR1 (0.38) ESR1ELANE
SCHEMBL28087461 0.64 ESR1 (0.43) ESR1ELANE
SCHEMBL24175045 0.64 YTHDC1 (0.46) XDHYTHDC1PDE2A
SCHEMBL14968875 0.64 MAPT (0.49) ESR1ELANE
SCHEMBL11203602 0.64 PDE2A (0.42) ELANEXDHYTHDC1PDE2A
SCHEMBL11197439 0.60 PRKCI (0.40) ESR1ELANEXDHYTHDC1PDE2A
SCHEMBL7681092 0.60 ESR1 (0.34) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed