SCHEMBL11019082

SCHEMBL11019082

Cc1nc(NC(C)C)nc(N2CCNCC2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
HRH1 P35367 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK7 P50613 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
SCHEMBL11015949 0.83 MAPK1 (0.39) PDE10AGAATDP1PDE4APDE4B
SCHEMBL9741920 0.73 HRH1 (0.55) GAATDP1HRH1KDM4EALDH1A1
SCHEMBL15741416 0.71 HTR1A (0.49) PDE10A
Hydrochloric Acid SCHEMBL976407 0.70 HTR1A (0.48) PDE10A
Hydrochloric Acid SCHEMBL15741315 0.70 HTR1A (0.48) PDE10A
SCHEMBL11018122 0.69 MAPK1 (0.39) PDE10AGAATDP1HRH4HRH1
SCHEMBL11828795 0.67 PDE4A (0.41) PDE10ATDP1CHRNB2CHRNA4PDE4A
SCHEMBL15286212 0.67 ALDH1A1 (0.48) PDE10AGAATDP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL980045 0.67 PDE10A (0.40) PDE10AKDM4EALDH1A1
SCHEMBL4311864 0.66 PDE10A (0.51) PDE10ACHRNB2CHRNA4HRH4PDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063509-B1 2-PIPERAZINO-PYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE AS INTERMEDIATES IN THE MANUFACTURE OF MEDICAMENTS PHARMUKA LABORATOIRES (FR) 1985-02-20 EP claimed
EP-0063509-B1 2-PIPERAZINO-PYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE AS INTERMEDIATES IN THE MANUFACTURE OF MEDICAMENTS PHARMUKA LABORATOIRES (FR) 1985-02-20 EP disclosed
EP-0063509-A1 2-Piperazino-pyrimidine derivatives, processes for their preparation, medicaments containing them and their use as intermediates in the manufacture of medicaments PHARMUKA LABORATOIRES (FR) 1982-10-27 EP disclosed