SCHEMBL11200698

SCHEMBL11200698

CNc1nc(Cl)nc2scc(C)c12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.57
YTHDC1 Q96MU7 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TGFBR1 P36897 1/20 0.36
XDH P47989 1/20 0.36
PDE2A O00408 1/20 0.35
ELANE P08246 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33

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
SCHEMBL11200448 0.79 ESR1 (0.60) ESR1YTHDC1XDHPDE2AELANE
SCHEMBL2535846 0.78 ESR1 (0.48) ESR1LMNAPOLBGAAPKM
SCHEMBL8399554 0.78 ESR1 (0.48) ESR1LMNAPOLBGAAPKM
SCHEMBL30414063 0.75 ESR1 (0.46) ESR1LMNAPOLBGAAPKM
SCHEMBL25235219 0.72 ESR1 (0.44) ESR1ELANE
SCHEMBL19933189 0.72 YTHDC1 (0.44) ESR1YTHDC1XDHPDE2A
SCHEMBL11200114 0.69 PRKCI (0.46)
SCHEMBL25234484 0.69 ESR1 (0.44) ESR1
Hydrochloric Acid SCHEMBL11197387 0.68 PRKCI (0.45)
SCHEMBL5333421 0.67 ESR1 (0.38) ESR1LMNAPOLBGAAPKM

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