SCHEMBL11205604

SCHEMBL11205604

CNc1nc(N2CCNCC2)nc2sccc12

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.65
HTR3A P46098 2/20 0.45
GGPS1 O95749 1/20 0.45
KHK P50053 1/20 0.42
HTR2A P28223 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HRH4 Q9H3N8 2/20 0.41
FLT3 P36888 2/20 0.41
CDK2 P24941 1/20 0.41
CDK6 Q00534 1/20 0.41
ROCK2 O75116 2/20 0.40

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
SCHEMBL11200457 0.86 HTR2C (0.61) HTR2CGGPS1KHKHTR2AKDM4E
SCHEMBL29648806 0.83 HTR2C (0.57) HTR2CHTR2AFLT3CDK2CDK6
SCHEMBL11201044 0.79 HTR2C (0.70) HTR2CHTR3AKDM4EALDH1A1HRH4
SCHEMBL11202691 0.77 KHK (0.42) HTR2CHTR3AKHKHTR2AKDM4E
Hydrochloric Acid SCHEMBL11201994 0.76 KHK (0.41) HTR2CHTR3AKHKHTR2AKDM4E
SCHEMBL11200114 0.75 PRKCI (0.46) HTR2CKHKHTR2AKDM4EALDH1A1
SCHEMBL11208313 0.74 HTR2A (0.42) HTR2CHTR3AKHKHTR2AKDM4E
SCHEMBL11199721 0.74 P2RY12 (0.50) HTR2CKHKHTR2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11197387 0.74 PRKCI (0.45) HTR2CKHKHTR2AKDM4EALDH1A1
SCHEMBL11198291 0.73 GGPS1 (0.53) HTR2CHTR3AGGPS1KDM4EALDH1A1

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