SCHEMBL11199834

SCHEMBL11199834

CNc1nc(N2CCNCC2)nc2sc3c(c12)CCCC3

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.56
DRD2 P14416 1/20 0.51
PRKCI P41743 8/20 0.50
PRKCZ Q05513 4/20 0.49
ADRB1 P08588 1/20 0.45
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL11203744 0.99 HTR2C (0.55) HTR2CDRD2PRKCIPRKCZADRB1
SCHEMBL11200556 0.97 HTR2C (0.53) HTR2CDRD2PRKCIPRKCZADRB1
SCHEMBL11204214 0.88 KDM4E (0.53) HTR2CDRD2PRKCIPRKCZMAPT
SCHEMBL11206910 0.87 KDM4E (0.52) HTR2CDRD2PRKCIPRKCZMAPT
SCHEMBL11202996 0.86 KDM4E (0.43) HTR2CMAPTKDM4EUSP2ALDH1A1
SCHEMBL11202830 0.86 MEN1 (0.58) PRKCIPRKCZMAPTKDM4EUSP2
SCHEMBL11207162 0.86 KDM4E (0.55) HTR2CDRD2PRKCIPRKCZMAPT
Hydrochloric Acid SCHEMBL11200717 0.85 MEN1 (0.57) PRKCIPRKCZMAPTKDM4EUSP2
SCHEMBL11200838 0.85 ALDH1A1 (0.43) MAPTKDM4EUSP2ALDH1A1LMNA
SCHEMBL11198472 0.84 ALDH1A1 (0.60) HTR2CDRD2PRKCIPRKCZMAPT

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