SCHEMBL11200699

SCHEMBL11200699

CCN(CC)CCNc1nc(N2CCNCC2)nc2scc(C)c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 2/20 0.40
KHK P50053 7/20 0.39
PRKCI P41743 1/20 0.39
RAD52 P43351 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KMT5A Q9NQR1 1/20 0.36
HTR2C P28335 2/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ESR1 P03372 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL11204549 0.86 KHK (0.46) KHKPRKCIKMT5AHTR2CESR1
SCHEMBL11198016 0.86 PRKCI (0.43) KHKPRKCIHTR2CESR1
SCHEMBL11201921 0.85 KHK (0.40) KHKPRKCIKMT5AHTR2CESR1
Hydrochloric Acid SCHEMBL11207765 0.85 KHK (0.46) KHKPRKCIKMT5AHTR2CESR1
SCHEMBL11207434 0.85 KDM4E (0.38) KDM4EMAPTMAPK1ATMRAD52
SCHEMBL11197538 0.85 PRKCI (0.41) KDM4EMAPTKHKPRKCIHTR2C
SCHEMBL11201871 0.85 PRKCI (0.41) KHKPRKCIHTR2CESR1
Hydrochloric Acid SCHEMBL11204595 0.85 PRKCI (0.43) KHKPRKCIHTR2CESR1
SCHEMBL11200114 0.80 PRKCI (0.46) KDM4EKHKPRKCIHTR2C
Hydrochloric Acid SCHEMBL11197387 0.79 PRKCI (0.45) KDM4EKHKPRKCIHTR2C

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