SCHEMBL11201871

SCHEMBL11201871

Cc1csc2nc(N3CCNCC3)nc(NCCN)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 5/20 0.41
KHK P50053 8/20 0.39
STK17A Q9UEE5 1/20 0.39
HTR2C P28335 2/20 0.37
ESR1 P03372 1/20 0.35
HTR2A P28223 1/20 0.35
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL11197538 0.89 PRKCI (0.41) PRKCIKHKHTR2CESR1
SCHEMBL11204549 0.88 KHK (0.46) PRKCIKHKSTK17AHTR2CESR1
SCHEMBL11198016 0.87 PRKCI (0.43) PRKCIKHKHTR2CESR1CTSB
Hydrochloric Acid SCHEMBL11207765 0.87 KHK (0.46) PRKCIKHKSTK17AHTR2CESR1
SCHEMBL11201921 0.87 KHK (0.40) PRKCIKHKSTK17AHTR2CESR1
Hydrochloric Acid SCHEMBL11204595 0.86 PRKCI (0.43) PRKCIKHKHTR2CESR1CTSB
SCHEMBL11200699 0.85 KDM4E (0.40) PRKCIKHKHTR2CESR1
SCHEMBL11217766 0.84 HCRTR1 (0.37) PRKCIESR1
SCHEMBL11200114 0.83 PRKCI (0.46) PRKCIKHKHTR2CHTR2A
Hydrochloric Acid SCHEMBL11197387 0.82 PRKCI (0.45) PRKCIKHKHTR2CHTR2A

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